Popular repositories Loading

1. DLSCORE DLSCORE Public

   DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity

   Python 49 19

2. openDMPK openDMPK Public

   Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmacokinetic properties of drug molecules.

   Rich Text Format 26 14

3. KinasepKipred KinasepKipred Public

   Model to predict kinase-ligand pKi values.

   HTML 12 1

4. biasNet biasNet Public

   Scaffold Analysis of Ligands Causing GPCR Bias Signaling

   Jupyter Notebook 8 2

5. CADD-Workflows CADD-Workflows Public

   Jupyter Notebook 7 8

6. vinaXB vinaXB Public

   AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

   C++ 5 4