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chemfp 1.6.1 documentation
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Symbols
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_
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A
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B
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C
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D
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E
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F
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G
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H
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I
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K
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L
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M
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N
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O
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P
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R
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S
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T
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W
Symbols
--with-openmp, --without-openmp
command line option
--with-ssse3, --without-ssse3
command line option
_
__getitem__() (chemfp.arena.FingerprintArena method)
(chemfp.search.SearchResults method)
__init__() (chemfp.FingerprintIterator method)
(chemfp.Fingerprints method)
(chemfp.io.Location method)
__iter__() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintIterator method)
(chemfp.FingerprintReader method)
(chemfp.fps_io.FPSReader method)
(chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
__len__() (chemfp.arena.FingerprintArena method)
(chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
__repr__() (chemfp.io.Location method)
(chemfp.Metadata method)
__str__() (chemfp.Metadata method)
A
aromaticity (chemfp.Metadata attribute)
B
byte_contains() (in module chemfp.bitops)
byte_contains_bit() (in module chemfp.bitops)
byte_difference() (in module chemfp.bitops)
byte_from_bitlist() (in module chemfp.bitops)
byte_hex_tanimoto() (in module chemfp.bitops)
byte_hex_tversky() (in module chemfp.bitops)
byte_intersect() (in module chemfp.bitops)
byte_intersect_popcount() (in module chemfp.bitops)
byte_popcount() (in module chemfp.bitops)
byte_tanimoto() (in module chemfp.bitops)
byte_to_bitlist() (in module chemfp.bitops)
byte_tversky() (in module chemfp.bitops)
byte_union() (in module chemfp.bitops)
C
category (chemfp.ChemFPProblem attribute)
check_fingerprint_problems() (in module chemfp)
check_metadata_problems() (in module chemfp)
chemfp (module)
chemfp.arena (module)
chemfp.bitops (module)
chemfp.encodings (module)
chemfp.fps_io (module)
chemfp.io (module)
chemfp.search (module)
ChemFPError (class in chemfp)
ChemFPProblem (class in chemfp)
clear() (chemfp.search.SearchResult method)
clear_all() (chemfp.search.SearchResults method)
close() (chemfp.FingerprintIterator method)
(chemfp.FingerprintWriter method)
(chemfp.fps_io.FPSReader method)
(chemfp.fps_io.FPSWriter method)
closed (chemfp.fps_io.FPSReader attribute)
command line option
--with-openmp, --without-openmp
--with-ssse3, --without-ssse3
contains_arena() (in module chemfp.search)
contains_fp() (in module chemfp.search)
copy() (chemfp.arena.FingerprintArena method)
(chemfp.Metadata method)
count() (chemfp.search.SearchResult method)
count_all() (chemfp.search.SearchResults method)
count_tanimoto_hits() (in module chemfp)
count_tanimoto_hits_arena() (chemfp.fps_io.FPSReader method)
(in module chemfp.search)
count_tanimoto_hits_fp() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
(in module chemfp.search)
count_tanimoto_hits_symmetric() (in module chemfp)
(in module chemfp.search)
cumulative_score() (chemfp.search.SearchResult method)
cumulative_score_all() (chemfp.search.SearchResults method)
D
date (chemfp.Metadata attribute)
datestamp (chemfp.Metadata attribute)
description (chemfp.ChemFPProblem attribute)
E
error_level (chemfp.ChemFPProblem attribute)
F
filename (chemfp.io.Location attribute)
fill_lower_triangle() (in module chemfp.search)
FingerprintArena (class in chemfp.arena)
FingerprintIterator (class in chemfp)
FingerprintReader (class in chemfp)
Fingerprints (class in chemfp)
FingerprintWriter (class in chemfp)
first_line (chemfp.io.Location attribute)
format_ids_and_scores_as_bytes() (chemfp.search.SearchResult method)
FPSReader (class in chemfp.fps_io)
FPSWriter (class in chemfp.fps_io)
from_base64() (in module chemfp.encodings)
from_binary_lsb() (in module chemfp.encodings)
from_binary_msb() (in module chemfp.encodings)
from_cactvs() (in module chemfp.encodings)
from_daylight() (in module chemfp.encodings)
from_destination() (chemfp.io.Location method)
from_hex() (in module chemfp.encodings)
from_hex_lsb() (in module chemfp.encodings)
from_hex_msb() (in module chemfp.encodings)
from_on_bit_positions() (in module chemfp.encodings)
from_source() (chemfp.io.Location method)
G
get_by_id() (chemfp.arena.FingerprintArena method)
get_fingerprint() (chemfp.arena.FingerprintArena method)
get_fingerprint_by_id() (chemfp.arena.FingerprintArena method)
get_ids() (chemfp.search.SearchResult method)
get_ids_and_scores() (chemfp.search.SearchResult method)
get_index_by_id() (chemfp.arena.FingerprintArena method)
get_indices() (chemfp.search.SearchResult method)
get_indices_and_scores() (chemfp.search.SearchResult method)
get_max_threads() (in module chemfp)
get_num_threads() (in module chemfp)
get_scores() (chemfp.search.SearchResult method)
H
hex_contains() (in module chemfp.bitops)
hex_contains_bit() (in module chemfp.bitops)
hex_decode() (in module chemfp.bitops)
hex_difference() (in module chemfp.bitops)
hex_encode() (in module chemfp.bitops)
hex_encode_as_bytes() (in module chemfp.bitops)
hex_from_bitlist() (in module chemfp.bitops)
hex_intersect() (in module chemfp.bitops)
hex_intersect_popcount() (in module chemfp.bitops)
hex_isvalid() (in module chemfp.bitops)
hex_popcount() (in module chemfp.bitops)
hex_tanimoto() (in module chemfp.bitops)
hex_to_bitlist() (in module chemfp.bitops)
hex_tversky() (in module chemfp.bitops)
hex_union() (in module chemfp.bitops)
I
ids (chemfp.arena.FingerprintArena attribute)
iter_arenas() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintReader method)
(chemfp.fps_io.FPSReader method)
iter_ids() (chemfp.search.SearchResult method)
(chemfp.search.SearchResults method)
iter_ids_and_scores() (chemfp.search.SearchResults method)
iter_indices() (chemfp.search.SearchResults method)
iter_indices_and_scores() (chemfp.search.SearchResults method)
iter_scores() (chemfp.search.SearchResults method)
K
knearest_tanimoto_search() (in module chemfp)
knearest_tanimoto_search_arena() (chemfp.fps_io.FPSReader method)
(in module chemfp.search)
knearest_tanimoto_search_fp() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
(in module chemfp.search)
knearest_tanimoto_search_symmetric() (in module chemfp)
(in module chemfp.search)
L
load_fingerprints() (in module chemfp)
location (chemfp.fps_io.FPSReader attribute)
(chemfp.ParseError attribute)
Location (class in chemfp.io)
M
metadata (chemfp.arena.FingerprintArena attribute)
(chemfp.fps_io.FPSReader attribute)
Metadata (class in chemfp)
mol (chemfp.io.Location attribute)
msg (chemfp.ParseError attribute)
N
num_bits (chemfp.Metadata attribute)
num_bytes (chemfp.Metadata attribute)
O
offsets (chemfp.io.Location attribute)
open() (in module chemfp)
open_fingerprint_writer() (in module chemfp)
output_recno (chemfp.io.Location attribute)
P
ParseError (class in chemfp)
partial_count_tanimoto_hits_symmetric() (in module chemfp.search)
partial_threshold_tanimoto_search_symmetric() (in module chemfp.search)
R
read_molecule_fingerprints() (in module chemfp)
read_structure_fingerprints() (in module chemfp)
recno (chemfp.io.Location attribute)
record (chemfp.io.Location attribute)
record_format (chemfp.io.Location attribute)
reorder() (chemfp.search.SearchResult method)
reorder_all() (chemfp.search.SearchResults method)
S
sample() (chemfp.arena.FingerprintArena method)
save() (chemfp.arena.FingerprintArena method)
(chemfp.FingerprintReader method)
(chemfp.fps_io.FPSReader method)
SearchResult (class in chemfp.search)
SearchResults (class in chemfp.search)
set_num_threads() (in module chemfp)
severity (chemfp.ChemFPProblem attribute)
shape (chemfp.search.SearchResults attribute)
software (chemfp.Metadata attribute)
sources (chemfp.Metadata attribute)
T
threshold_tanimoto_search() (in module chemfp)
threshold_tanimoto_search_arena() (chemfp.fps_io.FPSReader method)
(in module chemfp.search)
threshold_tanimoto_search_fp() (chemfp.arena.FingerprintArena method)
(chemfp.fps_io.FPSReader method)
(in module chemfp.search)
threshold_tanimoto_search_symmetric() (in module chemfp)
(in module chemfp.search)
to_csr() (chemfp.search.SearchResults method)
train_test_split() (chemfp.arena.FingerprintArena method)
type (chemfp.Metadata attribute)
W
where() (chemfp.io.Location method)
write_fingerprint() (chemfp.FingerprintWriter method)
(chemfp.fps_io.FPSWriter method)
write_fingerprints() (chemfp.FingerprintWriter method)
(chemfp.fps_io.FPSWriter method)
Links
Download chemfp 1.6.1
chemfp home page
chemfp at Read The Docs
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chemfp 1.6.1 documentation
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