Pinned Repositories
CPI_prediction
This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.
mbtr-dnn
Deep neural network on many-body tensor representation in PyTorch
molecularGNN_3Dstructure
Graph neural network (GNN) for molecular property prediction (3D structure)
molecularGNN_smiles
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
QuantumDeepField_crystal
Quantum deep field for crystal
QuantumDeepField_molecule
Quantum deep field for molecule
masashitsubaki's Repositories
masashitsubaki/molecularGNN_smiles
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
masashitsubaki/QuantumDeepField_molecule
Quantum deep field for molecule
masashitsubaki/CPI_prediction
This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.
masashitsubaki/molecularGNN_3Dstructure
Graph neural network (GNN) for molecular property prediction (3D structure)
masashitsubaki/QuantumDeepField_crystal
Quantum deep field for crystal
masashitsubaki/mbtr-dnn
Deep neural network on many-body tensor representation in PyTorch