Skip to content
@TeamSuman

Dr. Suman Chakrabarty's Group @ SNBNCBS Kolkata

Developed and maintained by the group of Dr. Suman Chakrabarty @ SNBNCBS Kolkata

Popular repositories Loading

  1. PathGennie PathGennie Public

    Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding

    Jupyter Notebook 39 7

  2. IceCoder IceCoder Public

    Jupyter Notebook 4 1

  3. teamsuman.github.io teamsuman.github.io Public

    Group website

    JavaScript 1

  4. WeTICA WeTICA Public

    Python 1

  5. Publication_Data Publication_Data Public

    Repository for "Challenges in Transferable Prediction of Solvation Free Energy: A Comparative Analysis of Molecular Representations and Machine Learning Methods"

    Jupyter Notebook 2

  6. CoWERA CoWERA Public

    Python 1

Repositories

Showing 7 of 7 repositories
  • Publication_Data Public

    Repository for "Challenges in Transferable Prediction of Solvation Free Energy: A Comparative Analysis of Molecular Representations and Machine Learning Methods"

    TeamSuman/Publication_Data's past year of commit activity
    Jupyter Notebook 0 2 0 0 Updated Sep 17, 2026
  • PathGennie Public

    Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding

    TeamSuman/PathGennie's past year of commit activity
    Jupyter Notebook 39 MIT 7 0 0 Updated Sep 16, 2026
  • Trails-MD Public

    Lightweight, engine-agnostic framework for lineage-aware adaptive molecular dynamics sampling across fixed or machine-learned collective-variable spaces

    TeamSuman/Trails-MD's past year of commit activity
    Python 0 1 0 3 Updated Aug 29, 2026
  • CoWERA Public
    TeamSuman/CoWERA's past year of commit activity
    Python 0 1 0 1 Updated Aug 7, 2026
  • IceCoder Public
    TeamSuman/IceCoder's past year of commit activity
    Jupyter Notebook 4 MIT 1 0 0 Updated Jun 26, 2026
  • teamsuman.github.io Public

    Group website

    TeamSuman/teamsuman.github.io's past year of commit activity
    JavaScript 1 0 0 0 Updated Jun 18, 2026
  • WeTICA Public
    TeamSuman/WeTICA's past year of commit activity
    Python 0 1 0 0 Updated Jan 16, 2025

Most used topics

Loading…