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A
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B
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C
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D
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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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U
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V
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W
A
AbstractSimpleTable (class in kripodb.hdf5)
adapt_BitMap() (in module kripodb.db)
adapt_molblockgz() (in module kripodb.db)
add_dir() (kripodb.pharmacophores.PharmacophorePointsTable method)
(kripodb.pharmacophores.PharmacophoresDb method)
add_fragment() (kripodb.db.FragmentsDb method)
add_fragments_from_shelve() (kripodb.db.FragmentsDb method)
add_molecule() (kripodb.db.FragmentsDb method)
add_molecules() (kripodb.db.FragmentsDb method)
add_pdbs() (kripodb.db.FragmentsDb method)
append() (kripodb.hdf5.AbstractSimpleTable method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
(kripodb.pharmacophores.PharmacophoresDb method)
as_dict() (kripodb.db.FingerprintsDb method)
as_phar() (in module kripodb.pharmacophores)
B
by_id() (kripodb.hdf5.LabelsLookup method)
by_label() (kripodb.hdf5.LabelsLookup method)
by_labels() (kripodb.hdf5.LabelsLookup method)
by_pdb_code() (kripodb.db.FragmentsDb method)
C
calc_mean_onbit_density() (in module kripodb.modifiedtanimoto)
close() (kripodb.db.SqliteDb method)
(kripodb.frozen.FrozenSimilarityMatrix method)
(kripodb.hdf5.SimilarityMatrix method)
(kripodb.pharmacophores.PharmacophoresDb method)
commit() (kripodb.db.SqliteDb method)
connection (kripodb.db.SqliteDb attribute)
(kripodb.db.SqliteDict attribute)
convert_BitMap() (in module kripodb.db)
convert_molblockgz() (in module kripodb.db)
corrections() (in module kripodb.modifiedtanimoto)
count() (kripodb.frozen.FrozenSimilarityMatrix method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
create_tables() (kripodb.db.FingerprintsDb method)
(kripodb.db.FragmentsDb method)
(kripodb.db.SqliteDb method)
cursor (kripodb.db.SqliteDb attribute)
(kripodb.db.SqliteDict attribute)
D
default() (kripodb.webservice.server.KripodbJSONEncoder method)
dense_dump() (in module kripodb.dive)
dense_dump_iter() (in module kripodb.dive)
dense_dump_sc() (in module kripodb.script.dive)
dive_export() (in module kripodb.dive)
dive_sphere() (in module kripodb.dive)
dump_pairs() (in module kripodb.pairs)
dump_pairs_hdf5() (in module kripodb.pairs)
dump_pairs_tsv() (in module kripodb.pairs)
F
FastInserter (class in kripodb.db)
FEATURE_TYPES (in module kripodb.pharmacophores)
fetch() (kripodb.pdb.PdbReport method)
find() (kripodb.frozen.FrozenSimilarityMatrix method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
FingerprintsDb (class in kripodb.db)
fragments_by_id() (in module kripodb.canned)
(kripodb.webservice.client.WebserviceClient method)
fragments_by_pdb_codes() (in module kripodb.canned)
(kripodb.webservice.client.WebserviceClient method)
FragmentsDb (class in kripodb.db)
from_array() (kripodb.frozen.FrozenSimilarityMatrix method)
from_pairs() (kripodb.frozen.FrozenSimilarityMatrix method)
FrozenSimilarityMatrix (class in kripodb.frozen)
full_matrix (kripodb.hdf5.PairsTable attribute)
G
get_fragment_phar() (in module kripodb.webservice.server)
get_fragment_svg() (in module kripodb.webservice.server)
get_fragments() (in module kripodb.webservice.server)
get_similar_fragments() (in module kripodb.webservice.server)
get_version() (in module kripodb.webservice.server)
H
h5file (kripodb.frozen.FrozenSimilarityMatrix attribute)
(kripodb.hdf5.SimilarityMatrix attribute)
(kripodb.pharmacophores.PharmacophoresDb attribute)
I
id2label() (kripodb.db.FragmentsDb method)
Incomplete
IncompleteFragments
IncompleteHits
IncompletePharmacophores
IntbitsetDict (class in kripodb.db)
is_ligand_stored() (kripodb.db.FragmentsDb method)
items() (kripodb.db.SqliteDict method)
iter_file() (in module kripodb.makebits)
iteritems() (kripodb.db.SqliteDict method)
iteritems_startswith() (kripodb.db.SqliteDict method)
itervalues() (kripodb.db.SqliteDict method)
K
keep() (kripodb.hdf5.LabelsLookup method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
kripodb.canned (module)
kripodb.db (module)
kripodb.dive (module)
kripodb.frozen (module)
kripodb.hdf5 (module)
kripodb.makebits (module)
kripodb.modifiedtanimoto (module)
kripodb.pairs (module)
kripodb.pdb (module)
kripodb.pharmacophores (module)
kripodb.script (module)
kripodb.script.dive (module)
kripodb.script.fingerprints (module)
kripodb.script.fragments (module)
kripodb.script.similarities (module)
kripodb.webservice (module)
kripodb.webservice.client (module)
kripodb.webservice.server (module)
KripodbJSONEncoder (class in kripodb.webservice.server)
L
label2id() (kripodb.db.FragmentsDb method)
label2ids() (kripodb.hdf5.LabelsLookup method)
labels (kripodb.frozen.FrozenSimilarityMatrix attribute)
(kripodb.hdf5.SimilarityMatrix attribute)
LabelsLookup (class in kripodb.hdf5)
M
main() (in module kripodb.script)
make_fingerprints_parser() (in module kripodb.script.fingerprints)
make_fragments_parser() (in module kripodb.script.fragments)
make_parser() (in module kripodb.script)
make_similarities_parser() (in module kripodb.script.similarities)
materialize() (kripodb.db.SqliteDict method)
merge() (in module kripodb.pairs)
(kripodb.hdf5.LabelsLookup method)
N
number_of_bits (kripodb.db.IntbitsetDict attribute)
O
open_similarity_matrix() (in module kripodb.pairs)
P
pairs (kripodb.hdf5.SimilarityMatrix attribute)
PairsTable (class in kripodb.hdf5)
parse_csv_file() (in module kripodb.pdb)
PdbReport (class in kripodb.pdb)
PharmacophorePointsTable (class in kripodb.pharmacophores)
pharmacophores_by_id() (in module kripodb.canned)
PharmacophoresDb (class in kripodb.pharmacophores)
points (kripodb.pharmacophores.PharmacophoresDb attribute)
R
read_fpneighpairs_file() (in module kripodb.script.similarities)
read_fragtxtfile() (in module kripodb.pharmacophores)
read_fragtxtfile_as_file() (in module kripodb.pharmacophores)
read_phar() (kripodb.pharmacophores.PharmacophorePointsTable method)
(kripodb.pharmacophores.PharmacophoresDb method)
read_pphore_gzipped_sdfile() (in module kripodb.pharmacophores)
read_pphore_sdfile() (in module kripodb.pharmacophores)
S
score_precision (kripodb.hdf5.PairsTable attribute)
scores (kripodb.frozen.FrozenSimilarityMatrix attribute)
serve_app() (in module kripodb.webservice.server)
similar() (in module kripodb.pairs)
similar_fragments() (kripodb.webservice.client.WebserviceClient method)
similar_run() (in module kripodb.pairs)
similarities() (in module kripodb.canned)
(in module kripodb.modifiedtanimoto)
similarity() (in module kripodb.modifiedtanimoto)
similarity2query() (in module kripodb.pairs)
SimilarityMatrix (class in kripodb.hdf5)
simmatrix_export_run() (in module kripodb.script.similarities)
skip() (kripodb.hdf5.LabelsLookup method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
SqliteDb (class in kripodb.db)
SqliteDict (class in kripodb.db)
T
to_pairs() (kripodb.frozen.FrozenSimilarityMatrix method)
to_pandas() (kripodb.frozen.FrozenSimilarityMatrix method)
total_number_of_pairs() (in module kripodb.pairs)
U
update() (kripodb.db.IntbitsetDict method)
(kripodb.hdf5.LabelsLookup method)
(kripodb.hdf5.PairsTable method)
(kripodb.hdf5.SimilarityMatrix method)
url (kripodb.pdb.PdbReport attribute)
V
values() (kripodb.db.SqliteDict method)
W
WebserviceClient (class in kripodb.webservice.client)
write_file() (in module kripodb.makebits)
write_phar() (kripodb.pharmacophores.PharmacophoresDb method)
wsgi_app() (in module kripodb.webservice.server)