chemfp
chemfp-4.0
What’s new in chemfp?
Installing chemfp
Working with the command-line tools
Help for the command-line tools
Getting started with the API
Fingerprint family and type examples
Toolkit API examples
Text toolkit examples
Examples
chemfp API
Licenses
chemfp
Docs
»
Index
Index
Symbols
|
_
|
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
K
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
Symbols
--with-openmp, --without-openmp
command line option
_
__call__() (chemfp.io.ProgressBar method)
(chemfp.types.FingerprintFamily method)
__enter__() (chemfp.io.ProgressBar method)
__exit__() (chemfp.io.ProgressBar method)
__getitem__() (chemfp.arena.FingerprintArena method)
(chemfp.fps_search.FPSSearchResult method)
(chemfp.fps_search.FPSSearchResults method)
(chemfp.search.SearchResults method)
__init__() (chemfp.FingerprintIterator method)
(chemfp.Fingerprints method)
(chemfp.io.Location method)
,
[1]
__iter__() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintIterator method)
(chemfp.FingerprintReader method)
(chemfp.fps_io.FPSReader method)
(chemfp.fps_search.FPSSearchResult method)
(chemfp.fps_search.FPSSearchResults method)
(chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
__len__() (chemfp.arena.FingerprintArena method)
(chemfp.fps_search.FPSSearchResult method)
(chemfp.fps_search.FPSSearchResults method)
(chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
__repr__() (chemfp.base_toolkit.Format method)
(chemfp.Metadata method)
(chemfp.base_toolkit.FormatMetadata method)
(chemfp.io.Location method)
(chemfp.types.FingerprintFamily method)
__str__() (chemfp.Metadata method)
A
add_aliases() (chemfp.types.FingerprintTypeUnknownError method)
add_sdf_tag() (in module chemfp.text_toolkit)
,
[1]
add_tag() (chemfp._text_toolkit.TextRecord method)
(in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
alignment (chemfp.arena.FingerprintArena attribute)
arena (chemfp.arena.FingerprintArena attribute)
arena_ids (chemfp.arena.FingerprintArena attribute)
args (chemfp.base_toolkit.FormatMetadata attribute)
,
[1]
aromaticity (chemfp.Metadata attribute)
,
[1]
as_buffer() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
as_ctypes() (chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.HeapSweepSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.diversity.MaxMinSearch method)
(chemfp.highlevel.diversity.SpherexSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
as_numpy() (chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.HeapSweepSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.diversity.MaxMinSearch method)
(chemfp.highlevel.diversity.SpherexSearch method)
as_numpy_array() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
B
base_name (chemfp.types.BaseFingerprintType attribute)
(chemfp.types.FingerprintFamily attribute)
,
[1]
(chemfp.types.FingerprintType attribute)
BaseFingerprintType (class in chemfp.types)
BaseHeapSweepSearch (class in chemfp.highlevel.diversity)
BaseMoleculeReader (class in chemfp.base_toolkit)
,
[1]
BaseMoleculeWriter (class in chemfp.base_toolkit)
,
[1]
BaseSimsearch (class in chemfp.highlevel.similarity)
BaseSpherexSearch (class in chemfp.highlevel.diversity)
byte_contains() (in module chemfp.bitops)
,
[1]
byte_contains_bit() (in module chemfp.bitops)
,
[1]
byte_difference() (in module chemfp.bitops)
byte_from_bitlist() (in module chemfp.bitops)
,
[1]
byte_hex_tanimoto() (in module chemfp.bitops)
,
[1]
byte_hex_tversky() (in module chemfp.bitops)
,
[1]
byte_intersect() (in module chemfp.bitops)
,
[1]
byte_intersect_popcount() (in module chemfp.bitops)
,
[1]
byte_popcount() (in module chemfp.bitops)
,
[1]
byte_tanimoto() (in module chemfp.bitops)
,
[1]
byte_to_bitlist() (in module chemfp.bitops)
,
[1]
byte_tversky() (in module chemfp.bitops)
,
[1]
byte_union() (in module chemfp.bitops)
,
[1]
byte_union_popcount() (in module chemfp.bitops)
byte_xor() (in module chemfp.bitops)
byte_xor_popcount() (in module chemfp.bitops)
C
candidates (chemfp.diversity.SphereExclusionPicker attribute)
CanRecord (class in chemfp._text_toolkit)
CanStringRecord (class in chemfp._text_toolkit)
category (chemfp.ChemFPProblem attribute)
,
[1]
cdk2fps() (in module chemfp)
CDKAtomPairs2DFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKBaseFingerprintType (class in chemfp.cdk_types)
CDKDaylightFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKECFP0FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKECFP2FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKECFP4FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKECFP6FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKEStateFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKExtendedFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKFCFP0FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKFCFP2FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKFCFP4FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKFCFP6FingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKGraphOnlyFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKHybridizationFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKKlekotaRothFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKMACCSFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKPubchemFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKShortestPathFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
CDKShortestPathFingerprintType_v27 (class in chemfp.cdk_types)
CDKSubstructureFingerprintType_v20 (class in chemfp.cdk_types)
,
[1]
check_fingerprint_problems() (in module chemfp)
,
[1]
check_metadata_problems() (in module chemfp)
,
[1]
chemfp (module)
,
[1]
chemfp._text_toolkit (module)
chemfp.arena (module)
,
[1]
chemfp.base_toolkit (module)
,
[1]
chemfp.bitops (module)
,
[1]
chemfp.cdk_patterns (module)
chemfp.cdk_toolkit (module)
,
[1]
chemfp.cdk_types (module)
,
[1]
chemfp.diversity (module)
chemfp.encodings (module)
,
[1]
chemfp.fpb_io (module)
,
[1]
chemfp.fps_io (module)
,
[1]
chemfp.fps_search (module)
chemfp.highlevel.conversion (module)
chemfp.highlevel.diversity (module)
chemfp.highlevel.similarity (module)
chemfp.io (module)
,
[1]
chemfp.openbabel_patterns (module)
chemfp.openbabel_toolkit (module)
,
[1]
chemfp.openbabel_types (module)
,
[1]
chemfp.openeye_patterns (module)
chemfp.openeye_toolkit (module)
,
[1]
chemfp.openeye_types (module)
,
[1]
chemfp.rdkit_patterns (module)
chemfp.rdkit_toolkit (module)
,
[1]
chemfp.rdkit_types (module)
,
[1]
chemfp.search (module)
,
[1]
chemfp.text_toolkit (module)
,
[1]
chemfp.toolkit (module)
chemfp.types (module)
,
[1]
ChemFPError
(class in chemfp)
ChemFPProblem
(class in chemfp)
clear() (chemfp.fps_search.FPSSearchResult method)
(chemfp.search.SearchResult method)
,
[1]
clear_all() (chemfp.fps_search.FPSSearchResults method)
(chemfp.search.SearchResults method)
,
[1]
clear_registry() (chemfp.io.Location method)
close() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintIterator method)
,
[1]
(chemfp.FingerprintWriter method)
,
[1]
(chemfp.base_toolkit.BaseMoleculeReader method)
,
[1]
(chemfp.base_toolkit.BaseMoleculeWriter method)
,
[1]
(chemfp.base_toolkit.MoleculeStringWriter method)
(chemfp.fpb_io.InputOrderFPBWriter method)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(chemfp.fps_io.FPSWriter method)
,
[1]
(chemfp.highlevel.similarity.BaseSimsearch method)
(chemfp.io.ProgressBar method)
closed (chemfp.base_toolkit.BaseMoleculeReader attribute)
,
[1]
(chemfp.base_toolkit.BaseMoleculeWriter attribute)
,
[1]
(chemfp.base_toolkit.IdAndMoleculeReader attribute)
(chemfp.base_toolkit.IdAndRecordReader attribute)
(chemfp.base_toolkit.MoleculeReader attribute)
(chemfp.base_toolkit.MoleculeStringWriter attribute)
(chemfp.base_toolkit.MoleculeWriter attribute)
(chemfp.base_toolkit.RecordReader attribute)
(chemfp.fpb_io.InputOrderFPBWriter attribute)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter attribute)
,
[1]
(chemfp.fps_io.FPSReader attribute)
,
[1]
command line option
--with-openmp, --without-openmp
compression (chemfp.base_toolkit.Format attribute)
compute_fingerprint() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
compute_fingerprints() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
contains_arena() (in module chemfp.search)
contains_fp() (in module chemfp.search)
ConversionInfo (class in chemfp.highlevel.conversion)
convert2fps() (in module chemfp)
copy() (chemfp._text_toolkit.TextRecord method)
(chemfp.Metadata method)
,
[1]
(chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.io.Location method)
(chemfp.types.FingerprintUnavailable method)
copy_molecule() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
count() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
count_all() (chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
count_tanimoto_hits() (in module chemfp)
,
[1]
count_tanimoto_hits_arena() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
count_tanimoto_hits_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
count_tanimoto_hits_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
count_tversky_hits() (in module chemfp)
,
[1]
count_tversky_hits_arena() (in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
count_tversky_hits_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
count_tversky_hits_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
create_bytes() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
create_string() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
cumulative_score() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
cumulative_score_all() (chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
D
date (chemfp.Metadata attribute)
,
[1]
description (chemfp.ChemFPProblem attribute)
,
[1]
DISE_SMILES_LIST (chemfp.diversity.DISERanker attribute)
DISERanker (class in chemfp.diversity)
E
EncodingError
end (chemfp.arena.FingerprintArena attribute)
end() (chemfp.io.Location method)
end_padding (chemfp.arena.FingerprintArena attribute)
end_position (chemfp.io.Location attribute)
error_level (chemfp.ChemFPProblem attribute)
,
[1]
extensions (chemfp.base_toolkit.Format attribute)
F
filename (chemfp.base_toolkit.FormatMetadata attribute)
,
[1]
(chemfp.io.Location attribute)
,
[1]
fill_lower_triangle() (in module chemfp.search)
,
[1]
fingerprint_kwargs (chemfp.types.FingerprintType attribute)
FingerprintArena (class in chemfp.arena)
,
[1]
fingerprinter_can_fail (chemfp.cdk_types.CDKBaseFingerprintType attribute)
(chemfp.cdk_types.CDKShortestPathFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKShortestPathFingerprintType_v27 attribute)
(chemfp.types.BaseFingerprintType attribute)
FingerprintFamily (class in chemfp.types)
,
[1]
FingerprintIterator (class in chemfp)
,
[1]
FingerprintList (class in chemfp.arena)
,
[1]
FingerprintReader (class in chemfp)
,
[1]
fingerprints (chemfp.arena.FingerprintArena attribute)
,
[1]
Fingerprints (class in chemfp)
,
[1]
FingerprintType (class in chemfp.types)
,
[1]
FingerprintTypeUnknownError
FingerprintTypeValueError
FingerprintUnavailable
FingerprintWriter (class in chemfp)
,
[1]
first_line (chemfp.io.Location attribute)
,
[1]
first_line_bytes (chemfp.io.Location attribute)
FixedSizeFingerprint (class in chemfp.rdkit_types)
format (chemfp.FingerprintWriter attribute)
(chemfp.fpb_io.InputOrderFPBWriter attribute)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter attribute)
,
[1]
(chemfp.fps_io.FPSWriter attribute)
Format (class in chemfp.base_toolkit)
,
[1]
format_ids_and_scores_as_bytes() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
FormatMetadata (class in chemfp.base_toolkit)
,
[1]
FPBError
FPSReader (class in chemfp.fps_io)
,
[1]
FPSSearchResult (class in chemfp.fps_search)
FPSSearchResults (class in chemfp.fps_search)
FPSWriter (class in chemfp.fps_io)
,
[1]
from_base64() (in module chemfp.encodings)
,
[1]
from_binary_lsb() (in module chemfp.encodings)
,
[1]
from_binary_msb() (in module chemfp.encodings)
,
[1]
from_cactvs() (in module chemfp.encodings)
,
[1]
from_candidates() (chemfp.diversity.MaxMinPicker static method)
(chemfp.diversity.SphereExclusionPicker static method)
from_candidates_and_initial_pick() (chemfp.diversity.MaxMinPicker static method)
(chemfp.diversity.SphereExclusionPicker static method)
from_candidates_and_initial_picks() (chemfp.diversity.SphereExclusionPicker static method)
from_candidates_and_references() (chemfp.diversity.MaxMinPicker static method)
(chemfp.diversity.SphereExclusionPicker static method)
from_daylight() (in module chemfp.encodings)
,
[1]
from_destination() (chemfp.io.Location class method)
(chemfp.io.Location method)
from_dise_paper (chemfp.diversity.DISERanker attribute)
from_fasta() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_fasta_file() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_fingerprints (chemfp.diversity.DISERanker attribute)
from_helm() (in module chemfp.rdkit_toolkit)
from_hex() (in module chemfp.encodings)
,
[1]
from_hex_lsb() (in module chemfp.encodings)
,
[1]
from_hex_msb() (in module chemfp.encodings)
,
[1]
from_inchi() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_inchi_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_inchistring() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_kwargs() (chemfp.types.FingerprintFamily method)
,
[1]
from_mol() (chemfp.types.FingerprintType method)
from_molfile() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_mols() (chemfp.types.FingerprintType method)
from_oez() (in module chemfp.openeye_toolkit)
from_oez_file() (in module chemfp.openeye_toolkit)
from_on_bit_positions() (in module chemfp.encodings)
,
[1]
from_pdb() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_pdb_file() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_rdbinmol() (in module chemfp.rdkit_toolkit)
from_sdf() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_sdf_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_sequence() (in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_smi() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_smi_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_smiles() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
from_smiles_list (chemfp.diversity.DISERanker attribute)
from_smistring() (chemfp.cdk_types.CDKBaseFingerprintType method)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType method)
(chemfp.rdkit_types.RDKitBaseFingerprintType method)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
from_source() (chemfp.io.Location class method)
(chemfp.io.Location method)
from_text_settings() (chemfp.types.FingerprintFamily method)
,
[1]
G
get_all_names() (chemfp.types.FingerprintTypeUnknownError method)
get_all_neighbors() (chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_bit_counts() (chemfp.arena.FingerprintArena method)
get_bit_counts_as_numpy() (chemfp.arena.FingerprintArena method)
get_by_id() (chemfp.arena.FingerprintArena method)
,
[1]
get_counts() (chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_default_progressbar() (in module chemfp)
get_default_reader_args() (chemfp.base_toolkit.Format method)
,
[1]
get_default_writer_args() (chemfp.base_toolkit.Format method)
,
[1]
get_defaults() (chemfp.types.FingerprintFamily method)
,
[1]
get_description() (chemfp.highlevel.conversion.ConversionInfo method)
(chemfp.highlevel.diversity.BaseHeapSweepSearch method)
(chemfp.highlevel.diversity.BaseSpherexSearch method)
(chemfp.highlevel.similarity.BaseSimsearch method)
get_fingerprint() (chemfp.arena.FingerprintArena method)
,
[1]
get_fingerprint_by_id() (chemfp.arena.FingerprintArena method)
,
[1]
get_fingerprint_families() (in module chemfp)
,
[1]
get_fingerprint_family() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
(in module chemfp)
,
[1]
get_fingerprint_family_names() (in module chemfp)
,
[1]
get_fingerprint_type() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintReader method)
,
[1]
(chemfp.fps_io.FPSReader method)
(in module chemfp)
,
[1]
get_fingerprint_type_from_text_settings() (in module chemfp)
,
[1]
get_format() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_formats() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_help() (chemfp.types.FingerprintTypeUnknownError method)
get_id() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_ids() (chemfp.fps_search.FPSSearchResult method)
(chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.HeapSweepSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.diversity.MaxMinSearch method)
(chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_ids_and_counts() (chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_ids_and_hits() (chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_ids_and_scores() (chemfp.fps_search.FPSSearchResult method)
(chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_index_by_id() (chemfp.arena.FingerprintArena method)
,
[1]
get_indices() (chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.HeapSweepSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.diversity.MaxMinSearch method)
(chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_indices_and_counts() (chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_indices_and_neighbors() (chemfp.highlevel.diversity.SpherexNeighborSearch method)
get_indices_and_scores() (chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_indices_as_numpy_array() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_input_format() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_input_format_from_source() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_input_formats() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_kwargs_from_text_settings() (chemfp.types.FingerprintFamily method)
,
[1]
get_license_date() (in module chemfp)
get_max_threads() (in module chemfp)
,
[1]
get_metadata() (chemfp.types.FingerprintType method)
,
[1]
get_num_threads() (in module chemfp)
,
[1]
get_output_format() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_output_format_from_destination() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_output_formats() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_reader_args_from_text_settings() (chemfp.base_toolkit.Format method)
,
[1]
get_registry() (chemfp.io.Location method)
get_scores() (chemfp.fps_search.FPSSearchResult method)
(chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_scores_as_numpy_array() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
get_sdf_id() (in module chemfp.text_toolkit)
,
[1]
get_sdf_tag() (in module chemfp.text_toolkit)
,
[1]
get_sdf_tag_pairs() (in module chemfp.text_toolkit)
,
[1]
get_suggestions() (chemfp.types.FingerprintTypeUnknownError method)
get_tag() (chemfp._text_toolkit.TextRecord method)
(in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_tag_as_bytes() (chemfp._text_toolkit.TextRecord method)
get_tag_pairs() (chemfp._text_toolkit.TextRecord method)
(in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
get_tag_pairs_as_bytes() (chemfp._text_toolkit.TextRecord method)
get_tanimoto_precision() (in module chemfp.bitops)
get_toolkit() (in module chemfp)
,
[1]
get_toolkit_names() (in module chemfp)
,
[1]
get_type() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
get_unqualified_reader_args() (chemfp.base_toolkit.Format method)
,
[1]
get_unqualified_writer_args() (chemfp.base_toolkit.Format method)
,
[1]
get_writer_args_from_text_settings() (chemfp.base_toolkit.Format method)
,
[1]
getvalue() (chemfp.base_toolkit.MoleculeStringWriter method)
,
[1]
H
has_fingerprint_family() (in module chemfp)
,
[1]
has_toolkit() (in module chemfp)
,
[1]
heapsweep() (in module chemfp)
HeapSweepScoreSearch (class in chemfp.highlevel.diversity)
HeapSweepSearch (class in chemfp.highlevel.diversity)
hex_contains() (in module chemfp.bitops)
,
[1]
hex_contains_bit() (in module chemfp.bitops)
,
[1]
hex_decode() (in module chemfp.bitops)
,
[1]
hex_difference() (in module chemfp.bitops)
hex_encode() (in module chemfp.bitops)
,
[1]
hex_encode_as_bytes() (in module chemfp.bitops)
,
[1]
hex_from_bitlist() (in module chemfp.bitops)
,
[1]
hex_intersect() (in module chemfp.bitops)
,
[1]
hex_intersect_popcount() (in module chemfp.bitops)
,
[1]
hex_isvalid() (in module chemfp.bitops)
,
[1]
hex_popcount() (in module chemfp.bitops)
,
[1]
hex_tanimoto() (in module chemfp.bitops)
,
[1]
hex_to_bitlist() (in module chemfp.bitops)
,
[1]
hex_tversky() (in module chemfp.bitops)
,
[1]
hex_union() (in module chemfp.bitops)
,
[1]
hex_xor() (in module chemfp.bitops)
I
id_bytes (chemfp._text_toolkit.TextRecord attribute)
IdAndMoleculeReader (class in chemfp.base_toolkit)
,
[1]
IdAndRecordReader (class in chemfp.base_toolkit)
,
[1]
ids (chemfp.arena.FingerprintArena attribute)
,
[1]
import_decoder() (in module chemfp.encodings)
include_help() (chemfp.types.FingerprintTypeUnknownError method)
InputOrderFPBWriter (class in chemfp.fpb_io)
,
[1]
is_available (chemfp.base_toolkit.Format attribute)
,
[1]
(chemfp.openbabel_types.OpenBabelECFP0FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP10FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP8FingerprintType_v1 attribute)
is_input_format (chemfp.base_toolkit.Format attribute)
,
[1]
is_licensed() (in module chemfp)
(in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
is_output_format (chemfp.base_toolkit.Format attribute)
,
[1]
is_valid_aromaticity() (in module chemfp.openeye_toolkit)
iter_arenas() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.FingerprintReader method)
,
[1]
(chemfp.fps_io.FPSReader method)
iter_blocks() (chemfp.fps_io.FPSReader method)
iter_ids() (chemfp.diversity.SphereExclusionPicker method)
(chemfp.fps_search.FPSSearchResults method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
(chemfp.search.SearchResults method)
,
[1]
iter_ids_and_counts() (chemfp.diversity.SphereExclusionPicker method)
iter_ids_and_neighbors() (chemfp.diversity.SphereExclusionPicker method)
iter_ids_and_scores() (chemfp.fps_search.FPSSearchResults method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
iter_indices() (chemfp.diversity.SphereExclusionPicker method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
iter_indices_and_counts() (chemfp.diversity.SphereExclusionPicker method)
iter_indices_and_neighbors() (chemfp.diversity.SphereExclusionPicker method)
iter_indices_and_scores() (chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
iter_rows() (chemfp.fps_io.FPSReader method)
iter_scores() (chemfp.fps_search.FPSSearchResults method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
K
knearest_tanimoto_search() (in module chemfp)
,
[1]
knearest_tanimoto_search_arena() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
knearest_tanimoto_search_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
knearest_tanimoto_search_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
knearest_tversky_search() (in module chemfp)
,
[1]
knearest_tversky_search_arena() (in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
knearest_tversky_search_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
knearest_tversky_search_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
L
lineno (chemfp.io.Location attribute)
load() (chemfp.FingerprintReader method)
load_fingerprints() (in module chemfp)
,
[1]
load_fingerprints_from_string() (in module chemfp)
load_output() (chemfp.highlevel.conversion.ConversionInfo method)
location (chemfp.base_toolkit.BaseMoleculeReader attribute)
,
[1]
(chemfp.ParseError attribute)
,
[1]
(chemfp.base_toolkit.BaseMoleculeWriter attribute)
,
[1]
(chemfp.base_toolkit.IdAndMoleculeReader attribute)
(chemfp.base_toolkit.IdAndRecordReader attribute)
(chemfp.base_toolkit.MoleculeReader attribute)
(chemfp.base_toolkit.MoleculeStringWriter attribute)
(chemfp.base_toolkit.MoleculeWriter attribute)
(chemfp.base_toolkit.RecordReader attribute)
(chemfp.fps_io.FPSReader attribute)
,
[1]
Location (class in chemfp.io)
,
[1]
M
make_fingerprinter() (chemfp.openbabel_types.OpenBabelBaseMACCSFingerprintType method)
(chemfp.openbabel_types.OpenBabelFP2FingerprintType_v1 method)
(chemfp.openbabel_types.OpenBabelFP3FingerprintType_v1 method)
(chemfp.openbabel_types.OpenBabelFP4FingerprintType_v1 method)
(chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
(chemfp.types.ThreadsafeFingerprinterMixin method)
make_id_and_molecule_fingerprint_parser() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
make_id_and_molecule_parser() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
max() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
maxmin() (in module chemfp)
MaxMinPicker (class in chemfp.diversity)
MaxMinScoreSearch (class in chemfp.highlevel.diversity)
MaxMinSearch (class in chemfp.highlevel.diversity)
metadata (chemfp.arena.FingerprintArena attribute)
,
[1]
(chemfp.base_toolkit.BaseMoleculeReader attribute)
,
[1]
(chemfp.base_toolkit.BaseMoleculeWriter attribute)
,
[1]
(chemfp.base_toolkit.IdAndMoleculeReader attribute)
(chemfp.base_toolkit.IdAndRecordReader attribute)
(chemfp.base_toolkit.MoleculeReader attribute)
(chemfp.base_toolkit.MoleculeStringWriter attribute)
(chemfp.base_toolkit.MoleculeWriter attribute)
(chemfp.base_toolkit.RecordReader attribute)
(chemfp.fpb_io.InputOrderFPBWriter attribute)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter attribute)
,
[1]
(chemfp.fps_io.FPSReader attribute)
,
[1]
Metadata (class in chemfp)
,
[1]
min() (chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
mol (chemfp.io.Location attribute)
,
[1]
MoleculeReader (class in chemfp.base_toolkit)
,
[1]
MoleculeStringWriter (class in chemfp.base_toolkit)
,
[1]
MoleculeWriter (class in chemfp.base_toolkit)
,
[1]
msg (chemfp.ParseError attribute)
,
[1]
MultiQuerySimsearch (class in chemfp.highlevel.similarity)
N
name (chemfp.base_toolkit.Format attribute)
(chemfp.cdk_types.CDKAtomPairs2DFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKDaylightFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKECFP0FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKECFP2FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKECFP4FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKECFP6FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKEStateFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKExtendedFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKFCFP0FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKFCFP2FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKFCFP4FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKFCFP6FingerprintType_v20 attribute)
(chemfp.cdk_types.CDKGraphOnlyFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKHybridizationFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKKlekotaRothFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKMACCSFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKPubchemFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKShortestPathFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKShortestPathFingerprintType_v27 attribute)
(chemfp.cdk_types.CDKSubstructureFingerprintType_v20 attribute)
(chemfp.openbabel_types.OpenBabelECFP0FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP10FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP2FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP4FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP6FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelECFP8FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelFP2FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelFP3FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelFP4FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelMACCSFingerprintType_v2 attribute)
(chemfp.openeye_types.OpenEyeCircularFingerprintType_v2 attribute)
(chemfp.openeye_types.OpenEyeMACCSFingerprintType_v2 attribute)
(chemfp.openeye_types.OpenEyeMACCSFingerprintType_v3 attribute)
(chemfp.openeye_types.OpenEyeMDLScreenFingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyeMoleculeScreenFingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyePathFingerprintType_v2 attribute)
(chemfp.openeye_types.OpenEyeSMARTSScreenFingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyeTreeFingerprintType_v2 attribute)
(chemfp.rdkit_types.RDKitAtomPairFingerprint_v1 attribute)
(chemfp.rdkit_types.RDKitAtomPairFingerprint_v2 attribute)
(chemfp.rdkit_types.RDKitAvalonFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitFingerprintType_v2 attribute)
(chemfp.rdkit_types.RDKitMACCSFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitMACCSFingerprintType_v2 attribute)
(chemfp.rdkit_types.RDKitMorganFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitPatternFingerprint_v1 attribute)
(chemfp.rdkit_types.RDKitPatternFingerprint_v2 attribute)
(chemfp.rdkit_types.RDKitPatternFingerprint_v3 attribute)
(chemfp.rdkit_types.RDKitPatternFingerprint_v4 attribute)
(chemfp.rdkit_types.RDKitSECFPFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitTorsionFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitTorsionFingerprintType_v2 attribute)
(chemfp.types.BaseFingerprintType attribute)
(chemfp.types.FingerprintFamily attribute)
,
[1]
(chemfp.types.FingerprintType attribute)
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
(in module chemfp.text_toolkit)
(in module chemfp.toolkit)
next() (chemfp.fps_io.FPSReader method)
NoFingerprintParametersMixin (class in chemfp.types)
num_bits (chemfp.arena.FingerprintArena attribute)
(chemfp.Metadata attribute)
,
[1]
(chemfp.cdk_types.CDKAtomPairs2DFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKEStateFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKKlekotaRothFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKMACCSFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKPubchemFingerprintType_v20 attribute)
(chemfp.cdk_types.CDKSubstructureFingerprintType_v20 attribute)
(chemfp.openbabel_types.OpenBabelBaseMACCSFingerprintType attribute)
(chemfp.openbabel_types.OpenBabelFP2FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelFP3FingerprintType_v1 attribute)
(chemfp.openbabel_types.OpenBabelFP4FingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyeMACCSFingerprintType_v2 attribute)
(chemfp.openeye_types.OpenEyeMACCSFingerprintType_v3 attribute)
(chemfp.openeye_types.OpenEyeMDLScreenFingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyeMoleculeScreenFingerprintType_v1 attribute)
(chemfp.openeye_types.OpenEyeSMARTSScreenFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitMACCSFingerprintType_v1 attribute)
(chemfp.rdkit_types.RDKitMACCSFingerprintType_v2 attribute)
(chemfp.types.FingerprintType attribute)
num_bytes (chemfp.arena.FingerprintArena attribute)
(chemfp.Metadata attribute)
,
[1]
num_input_records (chemfp.highlevel.conversion.ConversionInfo attribute)
num_output_records (chemfp.highlevel.conversion.ConversionInfo attribute)
NxNSimsearch (class in chemfp.highlevel.similarity)
O
ob2fps() (in module chemfp)
oe2fps() (in module chemfp)
offsets (chemfp.io.Location attribute)
,
[1]
open() (in module chemfp)
,
[1]
open_fingerprint_writer() (in module chemfp)
,
[1]
open_from_string() (in module chemfp)
open_molecule_writer() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
open_molecule_writer_to_bytes() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
open_molecule_writer_to_string() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
open_output() (chemfp.highlevel.conversion.ConversionInfo method)
OpenBabelBaseFingerprintType (class in chemfp.openbabel_types)
OpenBabelBaseMACCSFingerprintType (class in chemfp.openbabel_types)
OpenBabelECFP0FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFP10FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFP2FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFP4FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFP6FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFP8FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelECFPBaseFingerprintType (class in chemfp.openbabel_types)
OpenBabelFP2FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelFP3FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelFP4FingerprintType_v1 (class in chemfp.openbabel_types)
,
[1]
OpenBabelMACCSFingerprintType_v1 (class in chemfp.openbabel_types)
OpenBabelMACCSFingerprintType_v2 (class in chemfp.openbabel_types)
,
[1]
OpenEyeCircularFingerprintType_v2 (class in chemfp.openeye_types)
,
[1]
OpenEyeMACCSFingerprintType_v2 (class in chemfp.openeye_types)
,
[1]
OpenEyeMACCSFingerprintType_v3 (class in chemfp.openeye_types)
,
[1]
OpenEyeMDLScreenFingerprintType_v1 (class in chemfp.openeye_types)
,
[1]
OpenEyeMoleculeScreenFingerprintType_v1 (class in chemfp.openeye_types)
,
[1]
OpenEyePathFingerprintType_v2 (class in chemfp.openeye_types)
,
[1]
OpenEyeSMARTSScreenFingerprintType_v1 (class in chemfp.openeye_types)
,
[1]
OpenEyeTreeFingerprintType_v2 (class in chemfp.openeye_types)
,
[1]
OrderedFPBWriter (class in chemfp.fpb_io)
,
[1]
output_recno (chemfp.io.Location attribute)
,
[1]
P
parse_id_and_molecule() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
parse_id_and_molecule_fingerprint() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
parse_molecule() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
parse_molecule_fingerprint() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
ParseError
(class in chemfp)
partial_count_tanimoto_hits_symmetric() (in module chemfp.search)
,
[1]
partial_count_tversky_hits_symmetric() (in module chemfp.search)
,
[1]
partial_threshold_tanimoto_search_symmetric() (in module chemfp.search)
,
[1]
partial_threshold_tversky_search_symmetric() (in module chemfp.search)
,
[1]
pick_n() (chemfp.diversity.MaxMinPicker method)
(chemfp.diversity.SphereExclusionPicker method)
pick_n_with_counts() (chemfp.diversity.SphereExclusionPicker method)
pick_n_with_neighbors() (chemfp.diversity.SphereExclusionPicker method)
pick_n_with_scores() (chemfp.diversity.MaxMinPicker method)
picks (chemfp.diversity.SphereExclusionPicker attribute)
(chemfp.highlevel.diversity.BaseHeapSweepSearch attribute)
popcount_indices (chemfp.arena.FingerprintArena attribute)
position (chemfp.io.Location attribute)
position_units (chemfp.io.Location attribute)
prefix (chemfp.base_toolkit.Format attribute)
,
[1]
print_report() (in module chemfp.bitops)
progress_bar() (chemfp.io.Location method)
ProgressBar (class in chemfp.io)
Python Enhancement Proposals
PEP 343
Q
query_id (chemfp.fps_search.FPSSearchResult attribute)
(chemfp.highlevel.similarity.SingleQuerySimsearch attribute)
(chemfp.search.SearchResult attribute)
query_ids (chemfp.fps_search.FPSSearchResults attribute)
(chemfp.search.SearchResults attribute)
R
random_choice() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.arena.FingerprintList method)
,
[1]
rank_arena (chemfp.diversity.DISERanker attribute)
rdkit2fps() (in module chemfp)
RDKitAtomPairFingerprint_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitAtomPairFingerprint_v2 (class in chemfp.rdkit_types)
,
[1]
RDKitAvalonFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitBaseAtomPairFingerprintType (class in chemfp.rdkit_types)
RDKitBaseFingerprintType (class in chemfp.rdkit_types)
RDKitBasePatternFingerprint (class in chemfp.rdkit_types)
RDKitBaseTorsionFingerprintType (class in chemfp.rdkit_types)
RDKitFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitFingerprintType_v2 (class in chemfp.rdkit_types)
,
[1]
RDKitMACCSFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitMACCSFingerprintType_v2 (class in chemfp.rdkit_types)
,
[1]
RDKitMorganFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitPatternFingerprint_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitPatternFingerprint_v2 (class in chemfp.rdkit_types)
,
[1]
RDKitPatternFingerprint_v3 (class in chemfp.rdkit_types)
,
[1]
RDKitPatternFingerprint_v4 (class in chemfp.rdkit_types)
RDKitSECFPFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitTorsionFingerprintType_v1 (class in chemfp.rdkit_types)
,
[1]
RDKitTorsionFingerprintType_v2 (class in chemfp.rdkit_types)
,
[1]
RDMACCSCDKFingerprinter_v1 (class in chemfp.cdk_patterns)
RDMACCSCDKFingerprinter_v2 (class in chemfp.cdk_patterns)
RDMACCSOpenBabelFingerprinter_v1 (class in chemfp.openbabel_patterns)
RDMACCSOpenBabelFingerprinter_v2 (class in chemfp.openbabel_patterns)
RDMACCSOpenEyeFingerprinter_v1 (class in chemfp.openeye_patterns)
RDMACCSOpenEyeFingerprinter_v2 (class in chemfp.openeye_patterns)
RDMACCSRDKitFingerprinter_v1 (class in chemfp.rdkit_patterns)
RDMACCSRDKitFingerprinter_v2 (class in chemfp.rdkit_patterns)
read_ids_and_molecules() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
read_ids_and_molecules_from_string() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
read_molecule_fingerprints() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
(in module chemfp)
,
[1]
read_molecule_fingerprints_from_string() (chemfp.types.BaseFingerprintType method)
(chemfp.types.FingerprintType method)
,
[1]
(in module chemfp)
,
[1]
read_molecules() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
read_molecules_from_string() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
read_sdf_ids_and_records() (in module chemfp.text_toolkit)
,
[1]
read_sdf_ids_and_records_from_string() (in module chemfp.text_toolkit)
,
[1]
read_sdf_ids_and_values() (in module chemfp.text_toolkit)
,
[1]
read_sdf_ids_and_values_from_string() (in module chemfp.text_toolkit)
,
[1]
read_sdf_records() (in module chemfp.text_toolkit)
,
[1]
read_sdf_records_from_string() (in module chemfp.text_toolkit)
,
[1]
recno (chemfp.io.Location attribute)
,
[1]
record (chemfp._text_toolkit.TextRecord attribute)
(chemfp.io.Location attribute)
,
[1]
record_format (chemfp._text_toolkit.TextRecord attribute)
(chemfp.base_toolkit.FormatMetadata attribute)
,
[1]
(chemfp.io.Location attribute)
,
[1]
RecordReader (class in chemfp.base_toolkit)
,
[1]
register() (chemfp.io.Location method)
reorder() (chemfp.fps_search.FPSSearchResult method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
,
[1]
reorder_all() (chemfp.fps_search.FPSSearchResults method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
S
sample() (chemfp.arena.FingerprintArena method)
,
[1]
save() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.FingerprintReader method)
,
[1]
(chemfp.fps_io.FPSReader method)
(chemfp.io.Location method)
scores (chemfp.fps_search.FPSSearchResult attribute)
sdf2fps() (in module chemfp)
SDFRecord (class in chemfp._text_toolkit)
SearchResult (class in chemfp.search)
,
[1]
SearchResults (class in chemfp.search)
,
[1]
set_default_progressbar() (in module chemfp)
set_id() (in module chemfp.cdk_toolkit)
,
[1]
(in module chemfp.openbabel_toolkit)
,
[1]
(in module chemfp.openeye_toolkit)
,
[1]
(in module chemfp.rdkit_toolkit)
,
[1]
(in module chemfp.text_toolkit)
,
[1]
(in module chemfp.toolkit)
set_num_threads() (in module chemfp)
,
[1]
set_sdf_id() (in module chemfp.text_toolkit)
,
[1]
set_toolkit_name() (chemfp.types.FingerprintTypeUnknownError method)
severity (chemfp.ChemFPProblem attribute)
,
[1]
shape (chemfp.highlevel.similarity.MultiQuerySimsearch attribute)
(chemfp.highlevel.similarity.NxNSimsearch attribute)
(chemfp.search.SearchResults attribute)
,
[1]
simsearch() (in module chemfp)
SingleQuerySimsearch (class in chemfp.highlevel.similarity)
smiles (chemfp._text_toolkit.TextRecord attribute)
SmiRecord (class in chemfp._text_toolkit)
SmiStringRecord (class in chemfp._text_toolkit)
software (chemfp.cdk_types.CDKBaseFingerprintType attribute)
(chemfp.Metadata attribute)
,
[1]
(chemfp.openbabel_types.OpenBabelBaseFingerprintType attribute)
(chemfp.rdkit_types.RDKitBaseFingerprintType attribute)
(chemfp.types.BaseFingerprintType attribute)
(chemfp.types.FingerprintType attribute)
,
[1]
(in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
(in module chemfp.text_toolkit)
(in module chemfp.toolkit)
sources (chemfp.Metadata attribute)
,
[1]
SphereExclusionPicker (class in chemfp.diversity)
spherex() (in module chemfp)
SpherexCountSearch (class in chemfp.highlevel.diversity)
SpherexNeighborSearch (class in chemfp.highlevel.diversity)
SpherexSearch (class in chemfp.highlevel.diversity)
start_padding (chemfp.arena.FingerprintArena attribute)
start_position (chemfp.io.Location attribute)
storage_size (chemfp.arena.FingerprintArena attribute)
SubstructCDKFingerprinter_v1 (class in chemfp.cdk_patterns)
SubstructOpenBabelFingerprinter_v1 (class in chemfp.openbabel_patterns)
SubstructOpenEyeFingerprinter_v1 (class in chemfp.openeye_patterns)
SubstructRDKitFingerprintType_v1 (class in chemfp.rdkit_patterns)
supports_io (chemfp.base_toolkit.Format attribute)
,
[1]
T
TextRecord (class in chemfp._text_toolkit)
ThreadsafeFingerprinterMixin (class in chemfp.types)
threshold (chemfp.diversity.SphereExclusionPicker attribute)
threshold_tanimoto_search() (in module chemfp)
,
[1]
threshold_tanimoto_search_arena() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
threshold_tanimoto_search_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
threshold_tanimoto_search_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
threshold_tversky_search() (in module chemfp)
,
[1]
threshold_tversky_search_arena() (in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
threshold_tversky_search_fp() (chemfp.arena.FingerprintArena method)
,
[1]
(chemfp.fps_io.FPSReader method)
,
[1]
(in module chemfp.fps_search)
(in module chemfp.search)
,
[1]
threshold_tversky_search_symmetric() (in module chemfp)
,
[1]
(in module chemfp.search)
,
[1]
to_csr() (chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.search.SearchResults method)
,
[1]
to_fasta() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_fasta_file() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_helm() (in module chemfp.rdkit_toolkit)
to_inchi() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_inchi_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_inchikey() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_inchikey_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_inchikeystring() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_inchistring() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_molfile() (in module chemfp.cdk_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_numpy_array() (chemfp.arena.FingerprintArena method)
,
[1]
to_numpy_bitarray() (chemfp.arena.FingerprintArena method)
,
[1]
to_oez() (in module chemfp.openeye_toolkit)
to_oez_file() (in module chemfp.openeye_toolkit)
to_pandas() (chemfp.fps_search.FPSSearchResult method)
(chemfp.fps_search.FPSSearchResults method)
(chemfp.highlevel.diversity.HeapSweepScoreSearch method)
(chemfp.highlevel.diversity.HeapSweepSearch method)
(chemfp.highlevel.diversity.MaxMinScoreSearch method)
(chemfp.highlevel.diversity.MaxMinSearch method)
(chemfp.highlevel.diversity.SpherexCountSearch method)
(chemfp.highlevel.diversity.SpherexNeighborSearch method)
(chemfp.highlevel.diversity.SpherexSearch method)
(chemfp.highlevel.similarity.MultiQuerySimsearch method)
(chemfp.highlevel.similarity.NxNSimsearch method)
(chemfp.highlevel.similarity.SingleQuerySimsearch method)
(chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
to_pdb() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_pdb_file() (in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_rdbinmol() (in module chemfp.rdkit_toolkit)
to_sdf() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_sdf3k() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_sdf3k_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_sdf_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_sequence() (in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_smi() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_smi_file() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
to_smistring() (in module chemfp.cdk_toolkit)
(in module chemfp.openbabel_toolkit)
(in module chemfp.openeye_toolkit)
(in module chemfp.rdkit_toolkit)
toolkit (chemfp.cdk_types.CDKBaseFingerprintType attribute)
(chemfp.openbabel_types.OpenBabelBaseFingerprintType attribute)
(chemfp.rdkit_types.RDKitBaseFingerprintType attribute)
(chemfp.types.BaseFingerprintType attribute)
(chemfp.types.FingerprintFamily attribute)
,
[1]
(chemfp.types.FingerprintType attribute)
,
[1]
toolkit_name (chemfp.base_toolkit.Format attribute)
train_test_split() (chemfp.arena.FingerprintArena method)
,
[1]
type (chemfp.Metadata attribute)
,
[1]
U
update() (chemfp.io.ProgressBar method)
use_environment_variables() (in module chemfp.bitops)
UsmRecord (class in chemfp._text_toolkit)
UsmStringRecord (class in chemfp._text_toolkit)
V
VariableSizeFingerprint (class in chemfp.rdkit_types)
version (chemfp.types.BaseFingerprintType attribute)
(chemfp.types.FingerprintFamily attribute)
,
[1]
(chemfp.types.FingerprintType attribute)
W
where() (chemfp.io.Location method)
,
[1]
write_fingerprint() (chemfp.FingerprintWriter method)
,
[1]
(chemfp.fpb_io.InputOrderFPBWriter method)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter method)
,
[1]
(chemfp.fps_io.FPSWriter method)
,
[1]
write_fingerprints() (chemfp.FingerprintWriter method)
,
[1]
(chemfp.fpb_io.InputOrderFPBWriter method)
,
[1]
(chemfp.fpb_io.OrderedFPBWriter method)
,
[1]
(chemfp.fps_io.FPSWriter method)
,
[1]
write_id_and_molecule() (chemfp.base_toolkit.BaseMoleculeWriter method)
,
[1]
write_ids_and_molecules() (chemfp.base_toolkit.BaseMoleculeWriter method)
,
[1]
write_molecule() (chemfp.base_toolkit.BaseMoleculeWriter method)
,
[1]
write_molecules() (chemfp.base_toolkit.BaseMoleculeWriter method)
,
[1]
Read the Docs
v: chemfp-4.0
Versions
latest
chemfp-4x
chemfp-4.0
chemfp-3.5
chemfp-3.4.1
chemfp-3.4
chemfp-3.3
chemfp-3.2.1
chemfp-3.2
chemfp-3.1
chemfp-1.x
chemfp-1.6.1
chemfp-1.6
chemfp-1.5
chemfp-1.4
chemfp-1.3
Downloads
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.