Sirimulla Research Lab

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1. DLSCORE DLSCORE Public

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

   Python 49 17

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 27 16

3. KinasepKipred KinasepKipred Public

   Model to predict kinase-ligand pKi values.

   HTML 12 2

4. CADD-Workflows CADD-Workflows Public

   Jupyter Notebook 8 8

5. biasNet biasNet Public

   Scaffold Analysis of Ligands Causing GPCR Bias Signaling

   Jupyter Notebook 8 2

6. vinaXB vinaXB Public

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

   C++ 6 4