Index _ | A | B | E | F | G | L | M | N | R | S | T | U | V | X | Y _ __call__() (graphchem.preprocessing.Tokenizer method) __init__() (graphchem.data.MoleculeDataset method) (graphchem.data.MoleculeGraph method) (graphchem.nn.MoleculeGCN method) (graphchem.preprocessing.MoleculeEncoder method) (graphchem.preprocessing.Tokenizer method) __version__ (in module graphchem) _atom_tokenizer (graphchem.preprocessing.MoleculeEncoder attribute) _bond_tokenizer (graphchem.preprocessing.MoleculeEncoder attribute) _data (graphchem.preprocessing.Tokenizer attribute) _graphs (graphchem.data.MoleculeDataset attribute) _n_messages (graphchem.nn.MoleculeGCN attribute) _p_dropout (graphchem.nn.MoleculeGCN attribute) A act_fn (graphchem.nn.MoleculeGCN attribute) atom_conv (graphchem.nn.MoleculeGCN attribute) atom_to_str() (in module graphchem.preprocessing) B bond_conv (graphchem.nn.MoleculeGCN attribute) bond_to_str() (in module graphchem.preprocessing) E edge_attr (graphchem.data.MoleculeGraph attribute) edge_index (graphchem.data.MoleculeGraph attribute) emb_atom (graphchem.nn.MoleculeGCN attribute) emb_bond (graphchem.nn.MoleculeGCN attribute) encode() (graphchem.preprocessing.MoleculeEncoder method) encode_many() (graphchem.preprocessing.MoleculeEncoder method) F forward() (graphchem.nn.MoleculeGCN method) G get() (graphchem.data.MoleculeDataset method) get_ring_size() (in module graphchem.preprocessing) L len() (graphchem.data.MoleculeDataset method) load_cn() (in module graphchem.datasets) load_encoder() (in module graphchem.preprocessing) load_lhv() (in module graphchem.datasets) load_mon() (in module graphchem.datasets) load_ron() (in module graphchem.datasets) load_ysi() (in module graphchem.datasets) M MoleculeDataset (class in graphchem.data) MoleculeEncoder (class in graphchem.preprocessing) MoleculeGCN (class in graphchem.nn) MoleculeGraph (class in graphchem.data) N num_classes (graphchem.preprocessing.Tokenizer attribute) R readout (graphchem.nn.MoleculeGCN attribute) S save() (graphchem.preprocessing.MoleculeEncoder method) T Tokenizer (class in graphchem.preprocessing) train (graphchem.preprocessing.Tokenizer attribute) U unknown (graphchem.preprocessing.Tokenizer attribute) V vocab_size (graphchem.preprocessing.Tokenizer property) vocab_sizes (graphchem.preprocessing.MoleculeEncoder property) X x (graphchem.data.MoleculeGraph attribute) Y y (graphchem.data.MoleculeGraph attribute)