npfc
0.7.16-1-g289e37e8
Contents:
deduplicate
draw
filter
fragment_search
fragment_combination
fragment_combination_graph
fragment_combination_point
load
notebook
save
standardize
utils
npfc
»
Index
Index
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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M
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N
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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
A
annotate_pnp() (in module npfc.fragment_combination_graph)
B
blend() (npfc.draw.ColorMap method)
C
check_arg_bool() (in module npfc.utils)
check_arg_config_file() (in module npfc.utils)
check_arg_input_dir() (in module npfc.utils)
check_arg_input_file() (in module npfc.utils)
check_arg_output_dir() (in module npfc.utils)
check_arg_output_file() (in module npfc.utils)
check_arg_output_plot() (in module npfc.utils)
check_arg_positive_number() (in module npfc.utils)
classify() (in module npfc.fragment_combination)
classify_df() (in module npfc.fragment_combination)
clear_fcp_suffixes() (in module npfc.fragment_combination_point)
clear_fcp_suffixes_in_edges() (in module npfc.fragment_combination_point)
clear_isotopes() (npfc.standardize.Standardizer method)
clear_mixtures() (npfc.standardize.Standardizer method)
clear_side_chains() (npfc.standardize.Standardizer method)
ColorMap (class in npfc.draw)
compress_parallel_edges() (in module npfc.draw)
compute_descriptors() (npfc.filter.Filter method)
count_bond_collisions() (npfc.draw.DepictionValidator method)
count_mols() (in module npfc.load)
count_suboptimal_atom_positions() (npfc.draw.DepictionValidator method)
count_symmetry_groups() (in module npfc.fragment_combination_point)
count_violations_fragment_like() (in module npfc.filter)
count_violations_fragment_like_ext() (in module npfc.filter)
count_violations_lead_like() (in module npfc.filter)
count_violations_lipinski() (in module npfc.filter)
count_violations_ppi_like() (in module npfc.filter)
count_violations_veber() (in module npfc.filter)
D
decode_mol() (in module npfc.utils)
decode_mol_smiles() (in module npfc.utils)
decode_object() (in module npfc.utils)
deglycosylate() (npfc.standardize.Standardizer method)
depict_mol() (in module npfc.draw)
depiction_score() (npfc.draw.DepictionValidator method)
DepictionValidator (class in npfc.draw)
display_image_table() (in module npfc.notebook)
E
encode_mol() (in module npfc.utils)
encode_mol_smiles() (in module npfc.utils)
encode_object() (in module npfc.utils)
F
fcg() (in module npfc.draw)
file() (in module npfc.load)
(in module npfc.save)
Filter (class in npfc.filter)
filter_duplicates() (in module npfc.deduplicate)
filter_edges_attributes() (in module npfc.fragment_combination_graph)
filter_mol() (npfc.filter.Filter method)
filter_out_fcgs_ffs() (in module npfc.fragment_combination_graph)
filter_out_fcgs_ffs_all() (in module npfc.fragment_combination_graph)
find_symmetry_groups() (in module npfc.fragment_combination_point)
FragmentHighlight (class in npfc.draw)
full_uncharge() (npfc.standardize.FullUncharger method)
FullUncharger (class in npfc.standardize)
fuse_rings() (in module npfc.utils)
G
gallery() (in module npfc.notebook)
generate() (in module npfc.fragment_combination_graph)
get_d_aidxs_for_rings() (in module npfc.draw)
get_fcp_labels() (in module npfc.fragment_combination_point)
get_file_format() (in module npfc.utils)
get_fragment_combination_categories() (in module npfc.fragment_combination)
get_fragment_hits() (in module npfc.fragment_search)
get_min_max_ring_sizes() (in module npfc.filter)
get_pnp_references() (in module npfc.fragment_combination_graph)
get_possible_descriptors() (npfc.filter.Filter method)
get_ref_aidxs() (in module npfc.fragment_combination_graph)
get_rings_between_two_fragments() (in module npfc.fragment_combination)
get_shortest_path_between_frags() (in module npfc.fragment_combination)
(in module npfc.utils)
get_varying_d_aidxs() (in module npfc.fragment_combination_graph)
graph() (in module npfc.draw)
H
has_bond_crossing() (npfc.draw.DepictionValidator method)
has_degenerated_atom_positions() (npfc.draw.DepictionValidator method)
has_only_referenced_edges() (in module npfc.fragment_combination_graph)
highlight_fragment() (in module npfc.draw)
I
idx_to_label() (in module npfc.fragment_combination_point)
init_ref_file() (in module npfc.deduplicate)
M
module
npfc.deduplicate
npfc.draw
npfc.filter
npfc.fragment_combination
npfc.fragment_combination_graph
npfc.fragment_combination_point
npfc.fragment_search
npfc.load
npfc.notebook
npfc.save
npfc.standardize
npfc.utils
mol() (in module npfc.draw)
mols() (in module npfc.draw)
N
npfc.deduplicate
module
npfc.draw
module
npfc.filter
module
npfc.fragment_combination
module
npfc.fragment_combination_graph
module
npfc.fragment_combination_point
module
npfc.fragment_search
module
npfc.load
module
npfc.notebook
module
npfc.save
module
npfc.standardize
module
npfc.utils
module
P
parse_argparse_boolstring() (in module npfc.utils)
pgsql() (in module npfc.load)
R
raise_timeout() (in module npfc.utils)
random() (in module npfc.save)
random_string() (in module npfc.utils)
reaction() (in module npfc.draw)
regroup_edges_from_fcgs() (in module npfc.fragment_combination_graph)
rescale() (in module npfc.draw)
run() (npfc.standardize.Standardizer method)
run_df() (npfc.standardize.Standardizer method)
S
SafeHDF5Store (class in npfc.save)
Standardizer (class in npfc.standardize)
T
timeout() (in module npfc.utils)
W
write_sdf() (in module npfc.save)