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@sirimullalab

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 48 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 26 16

  3. KinasepKipred KinasepKipred Public

    Model to predict kinase-ligand pKi values.

    HTML 12 1

  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++ 5 4

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