Popular repositories Loading

1. DataScience DataScience Public

2. Covalent-Docking-Proximity-Analyzer Covalent-Docking-Proximity-Analyzer Public

   Proximity analysis helps analyze the spatial relationships between ligands and protein residues to gain insights into the binding interactions.

   Python

3. libenmrn libenmrn Public

   Reaction-based library enumeration of small molecules from building blocks

   Python

4. ML_classification ML_classification Public

   Classification using deep learning and classical ML techniques

   Jupyter Notebook

5. R-shiny R-shiny Public

   R

6. PyAutoFEP PyAutoFEP Public

   Forked from luancarvalhomartins/PyAutoFEP

   PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

   Python