Pinned Repositories
ADMETlab
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
alphafold
Open source code for AlphaFold.
andy
AutoDock-Vina
AutoDock Vina
DeepLearning-in-Bioinformatics
For anyone who are eager to applying deep learning in bioinformatics!
DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
DeepVS
Boosting Docking-Based Virtual Screening with Deep Learning
docking-scripts
Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina
Drug-Target-Interaction-Prediciton-Method
drug-target-predicttion
wangtongxing's Repositories
wangtongxing/ADMETlab
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
wangtongxing/alphafold
Open source code for AlphaFold.
wangtongxing/andy
wangtongxing/AutoDock-Vina
AutoDock Vina
wangtongxing/DeepLearning-in-Bioinformatics
For anyone who are eager to applying deep learning in bioinformatics!
wangtongxing/DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
wangtongxing/DeepVS
Boosting Docking-Based Virtual Screening with Deep Learning
wangtongxing/docking-scripts
Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina
wangtongxing/Drug-Target-Interaction-Prediciton-Method
wangtongxing/drug-target-predicttion
wangtongxing/gnina
A deep learning framework for molecular docking
wangtongxing/GraphINVENT
Graph neural networks for molecular design.
wangtongxing/molpal
active learning for accelerated high-throughput virtual screening
wangtongxing/pharmer
🌾 Kubernetes Cluster Manager using Kubeadm & Cluster API
wangtongxing/VFLP
VirtualFlow for Ligand Preparation