Pinned Repositories
BAT.py
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
test
This is the first example
TorsionNet
A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
a-abdoman's Repositories
a-abdoman/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
a-abdoman/DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
a-abdoman/BAT.py
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
a-abdoman/TorsionNet
A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
a-abdoman/test
This is the first example