AutoDock Vina

PyMOL Plugin for displaying polar contacts

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

A Consensus Docking Plugin for PyMOL

Practical Cheminformatics Tutorials

Publication-quality molecular graphics.

This app helps you to generate or define grid box for Autodock Vina and Autodock4

DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.

🧠💬 Articles I wrote about machine learning, archived from MachineCurve.com.

https://www.youtube.com/channel/UC34rW-HtPJulxr5wp2Xa04w?sub_confirmation=1