Pinned Repositories
ADCNet
ChemBC
Prediction of anti-breast cancer active molecules.
DEEPCDK9Pred
FG-BERT
Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
FP-GNN
FP-GNN_CYP
hignn
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
KinasePredictPro
MMSyn
Code for "Multimodal data fusion-driven prediction of synergistic drug combinations with MMSyn"
PARPi-Predict
idrugLab's Repositories
idrugLab/FP-GNN
idrugLab/hignn
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
idrugLab/FG-BERT
Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
idrugLab/ADCNet
idrugLab/FP-GNN_CYP
idrugLab/KinasePredictPro
idrugLab/ChemBC
Prediction of anti-breast cancer active molecules.
idrugLab/PARPi-Predict
idrugLab/MMSyn
Code for "Multimodal data fusion-driven prediction of synergistic drug combinations with MMSyn"
idrugLab/DEEPCDK9Pred
idrugLab/AOP
idrugLab/DeepCancerMap
idrugLab/QM
This is a Pytorch implementation of the SchNet + Feature-wise attention block for QM9 dataset
idrugLab/3MTox
In this study, we propose a motifs-level graph-based multi-view pre-training language model, called 3MTox, for toxicity identification
idrugLab/AntibacMap
idrugLab/DEEPCDKPred
idrugLab/DualPG-DTA
idrugLab/PDCNet