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

   Python 34 4

2. IceCoder IceCoder Public

   Jupyter Notebook 3 1

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

   Group website

   JavaScript 1

4. MTAN-ADMET MTAN-ADMET Public

   A Multi-Task Adaptive Network designed to predict multiple ADMET endpoints directly from SMILES representations without the need for molecular graph preprocessing or extensive feature engineering.

   Jupyter Notebook 1 1

5. WeTICA WeTICA Public

   Python 1

6. 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