Index

A

append_fps() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method)

B

BaseEngine (class in FPSim2.base)

BaseStorageBackend (class in FPSim2.io.backends.base)

C

calc_popcnt_bins() (FPSim2.io.backends.base.BaseStorageBackend static method) calc_popcnt_bins_pytables() (in module FPSim2.io.backends.pytables)

create_db_file() (in module FPSim2.io.backends.pytables) create_schema() (in module FPSim2.io.backends.pytables)

D

delete_fps() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method)

E

ew_kernel (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute)

F

fp_filename (FPSim2.base.BaseEngine attribute) fp_params (FPSim2.FPSim2.FPSim2Engine attribute) (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute) fp_params() (FPSim2.base.BaseEngine property) fp_type (FPSim2.FPSim2.FPSim2Engine attribute) (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute) fp_type() (FPSim2.base.BaseEngine property) fps (FPSim2.FPSim2.FPSim2Engine attribute) (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute) fps() (FPSim2.base.BaseEngine property) FPSim2 module FPSim2.base module FPSim2.FPSim2 module

FPSim2.FPSim2Cuda module FPSim2.io module FPSim2.io.backends module FPSim2.io.backends.base module FPSim2.io.backends.pytables module FPSim2.io.chem module FPSim2CudaEngine (class in FPSim2.FPSim2Cuda) FPSim2Engine (class in FPSim2.FPSim2)

G

get_bounds_range() (in module FPSim2.io.chem) get_fp_length() (in module FPSim2.io.chem)

get_fps_chunk() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method) get_mol_supplier() (in module FPSim2.io.chem)

I

it_mol_supplier() (in module FPSim2.io.chem)

L

load_fps() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method) load_molecule() (in module FPSim2.io.chem)

load_popcnt_bins() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method) load_query() (FPSim2.base.BaseEngine method)

M

module FPSim2 FPSim2.base FPSim2.FPSim2 FPSim2.FPSim2Cuda FPSim2.io FPSim2.io.backends FPSim2.io.backends.base FPSim2.io.backends.pytables FPSim2.io.chem

O

on_disk_search() (in module FPSim2.FPSim2) on_disk_similarity() (FPSim2.FPSim2.FPSim2Engine method)

on_disk_substructure() (FPSim2.FPSim2.FPSim2Engine method) on_disk_tversky() (FPSim2.FPSim2.FPSim2Engine method)

P

popcnt_bins (FPSim2.FPSim2.FPSim2Engine attribute) (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute)

popcnt_bins() (FPSim2.base.BaseEngine property) PyTablesStorageBackend (class in FPSim2.io.backends.pytables)

R

raw_kernel (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute) rdkit_ver (FPSim2.FPSim2.FPSim2Engine attribute) (FPSim2.FPSim2Cuda.FPSim2CudaEngine attribute)

rdkit_ver() (FPSim2.base.BaseEngine property) rdmol_to_efp() (in module FPSim2.io.chem) read_parameters() (FPSim2.io.backends.base.BaseStorageBackend method) (FPSim2.io.backends.pytables.PyTablesStorageBackend method)

S

sdf_mol_supplier() (in module FPSim2.io.chem) similarity() (FPSim2.base.BaseEngine method) (FPSim2.FPSim2.FPSim2Engine method) (FPSim2.FPSim2Cuda.FPSim2CudaEngine method)

smi_mol_supplier() (in module FPSim2.io.chem) sort_db_file() (in module FPSim2.io.backends.pytables) storage (FPSim2.base.BaseEngine attribute) substructure() (FPSim2.FPSim2.FPSim2Engine method) symmetric_distance_matrix() (FPSim2.FPSim2.FPSim2Engine method)

T

tversky() (FPSim2.FPSim2.FPSim2Engine method)