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C

createDecoder() - Static method in class tech.molecules.deep.LoadTorchFlexInfrastructure

E

encode() - Method in class tech.molecules.deep.PathEncoder

encodeAtom(int) - Method in class tech.molecules.deep.MolEncoder

encodeAtomWithConnections(int, int[]) - Method in class tech.molecules.deep.MolEncoder

encodeConnection(int, int) - Method in class tech.molecules.deep.MolEncoder

encodeMolecule() - Method in class tech.molecules.deep.MolEncoder

encodeMolecule(int[]) - Method in class tech.molecules.deep.MolEncoder

G

getAtomEncodingLength() - Method in class tech.molecules.deep.MolEncoder

getConnectionEncodingLengthPerConnection() - Method in class tech.molecules.deep.MolEncoder

getMoleculeEncodingLength() - Method in class tech.molecules.deep.MolEncoder

L

LoadTorchFlexInfrastructure - Class in tech.molecules.deep

LoadTorchFlexInfrastructure() - Constructor for class tech.molecules.deep.LoadTorchFlexInfrastructure

M

main(String[]) - Static method in class tech.molecules.deep.LoadTorchFlexInfrastructure

main(String[]) - Static method in class tech.molecules.deep.MolEncoder

MolEncoder - Class in tech.molecules.deep

Format: Each atom is encoded with the same information: 1.

MolEncoder() - Constructor for class tech.molecules.deep.MolEncoder

multiHot(int[], int) - Static method in class tech.molecules.deep.MolEncoder

O

oneHot(int, int) - Static method in class tech.molecules.deep.MolEncoder

P

PathEncoder - Class in tech.molecules.deep

PathEncoder(StereoMolecule, int, int) - Constructor for class tech.molecules.deep.PathEncoder

print(List<BitSet>, int) - Static method in class tech.molecules.deep.MolEncoder

S

setMolecule(StereoMolecule) - Method in class tech.molecules.deep.MolEncoder

T

tech.molecules.deep - package tech.molecules.deep

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