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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 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 25 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

Repositories

Showing 10 of 19 repositories
  • LigandNet Public

    LigandNet, a tool that combines different machine learning models into one platform for protein-specific ligand activity prediction.

    sirimullalab/LigandNet’s past year of commit activity
    HTML 3 MIT 1 0 3 Updated Aug 15, 2023
  • KinasepKipred Public

    Model to predict kinase-ligand pKi values.

    sirimullalab/KinasepKipred’s past year of commit activity
    HTML 12 MIT 1 1 2 Updated Jul 6, 2023
  • DLSCORE Public

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

    sirimullalab/DLSCORE’s past year of commit activity
    Python 49 MIT 19 3 1 Updated Mar 24, 2023
  • sirimullalab/redial-2020’s past year of commit activity
    HTML 5 MIT 4 0 1 Updated Jun 21, 2022
  • 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.

    sirimullalab/openDMPK’s past year of commit activity
    Rich Text Format 25 MIT 14 0 0 Updated Dec 31, 2021
  • biasNet Public

    Scaffold Analysis of Ligands Causing GPCR Bias Signaling

    sirimullalab/biasNet’s past year of commit activity
    Jupyter Notebook 8 MIT 2 0 0 Updated Oct 26, 2021
  • sirimullalab.github.io Public

    Lab website

    sirimullalab/sirimullalab.github.io’s past year of commit activity
    0 MIT 0 0 0 Updated Mar 3, 2021
  • cacti Public
    sirimullalab/cacti’s past year of commit activity
    JavaScript 2 0 0 0 Updated Mar 1, 2021
  • hypopt Public Forked from cgnorthcutt/hypopt

    ⏸ Parallelized hyper-param optimization with validation set, not crossval

    sirimullalab/hypopt’s past year of commit activity
    Python 0 21 0 0 Updated Feb 3, 2021
  • ad Public

    Applicability Domain

    sirimullalab/ad’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Jan 4, 2021

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