Repositories list

• Mothra

  Public
  Jupyter Notebook

  •

  GNU General Public License v3.0

  •1•7•1•0•Updated Nov 21, 2024Nov 21, 2024

• DiffInt

  Public
  Python

  •

  MIT License

  •1•10•0•0•Updated Aug 10, 2024Aug 10, 2024

• IEV2Mol

  Public
  Python

  •

  MIT License

  •2•7•0•0•Updated Jul 26, 2024Jul 26, 2024

• TRACER

  Public
  Jupyter Notebook

  •

  MIT License

  •1•0•0•0•Updated Jun 3, 2024Jun 3, 2024

• SIEVE-Score

  Public
  SIEVE-Score: interaction energy-based virtual screening method based on random forest.

  Python

  •8•14•0•0•Updated Sep 15, 2023Sep 15, 2023

• GARGOYLES

  Public
  Python

  •0•8•0•0•Updated Dec 7, 2022Dec 7, 2022

• retrosynthesizability_prediction_models

  Public
  Python

  •0•2•0•0•Updated Aug 17, 2022Aug 17, 2022

• RBP_CAMAS

  Public
  Python

  •

  Apache License 2.0

  •1•0•0•0•Updated Jul 12, 2022Jul 12, 2022

• mermaid

  Public
  Jupyter Notebook

  •7•13•1•0•Updated Oct 1, 2021Oct 1, 2021

• Mpro-docked-structure

  Public
  0•0•0•0•Updated Jul 12, 2021Jul 12, 2021

• SARS-CoV-2_RdRp_structures

  Public
  SARS-CoV-2_RdRp_structures

  0•0•0•0•Updated May 6, 2020May 6, 2020

• SARS-CoV-2_Mpro_structures

  Public
  SARS-CoV-2_Mpro_structures. Provisional Paper Title "Identification of key interactions between SARS-CoV-2 Main Protease and inhibitor drug candidates"

  0•2•0•0•Updated Mar 18, 2020Mar 18, 2020

• MMGBSA-CEN-BXM

  Public
  Supplimentary materials for "Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil"

  0•0•0•0•Updated Oct 4, 2019Oct 4, 2019

• HoloMol

  Public
  C#

  •0•0•0•0•Updated Oct 25, 2018Oct 25, 2018

• CoDe-DTI

  Public
  CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Predictior

  Python

  •1•4•1•0•Updated Sep 5, 2018Sep 5, 2018