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    • Python
      MIT License
      61820Updated Jul 14, 2022Jul 14, 2022
    • combichem

      Public
      Virtual screening approach for fragments selection and merging to lead-like compounds
      Python
      MIT License
      21200Updated Aug 20, 2021Aug 20, 2021
    • vscreenml

      Public
      This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Decoys (D-COID))
      Jupyter Notebook
      62331Updated Sep 8, 2020Sep 8, 2020
    • R
      0000Updated Mar 18, 2020Mar 18, 2020
    • msilib

      Public
      This is the repository that contains my codes for MsiLib paper
      0000Updated Jan 28, 2020Jan 28, 2020
    • kinmodel

      Public
      Python
      2000Updated Jul 2, 2019Jul 2, 2019
    • Automated pipeline for comparative modeling
      Python
      MIT License
      1231Updated Nov 5, 2018Nov 5, 2018