P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Structural biology superpowers for AI coding agents: PyMOL, ChimeraX, AlphaFold DB, RCSB PDB, UniProt, and Rosetta workflows.

Map AlphaFold PAE values on a model

run commands when opening files

This bundle provides ChimeraX command for recognizing ligands in cryoEM and X-ray crystallography maps using deep learning.

Pymol & ChimeraX Scripts for color

Docker image for the molecular visualization program, UCSF ChimeraX

An API to interactively run the UCSF ChimeraX molecular visualization software on the Lonestar6 supercomputer.

PyMOL tuning to soften molecular rendering

Datasets available FREELY on the PUBLIC Internet. (punctuation)

CS-to-PDB is an integrated toolkit for calculating sequence conservation, mapping it onto protein structures, and generating publication-ready structural and sequence visualizations.

Assignments from the 'Algorithms in Structural Bioinformatics' graduate course, exploring RNA folding, molecular conformational analysis, and protein structure comparison using Python and bioinformatics tools.

🐍 Transform Python code into efficient Rust with p2r, a static transpiler bridging ease of Python with Rust's speed and safety.

Relevant neurological proteins pulled directly from my personal ChimeraX library repo, found on my profile

ChimeraX bundle to swap chain_id between mmCIF auth_asym_id and label_asym_id

ChimeraX bundle that exposes mmCIF label_asym_id as a residue attribute for selection

This repository provides a demonstration of basic molecular docking using software tools such as AutoDock and ChimeraX. These techniques form part of the curriculum of the Bioinformatics practical course offered by Ahmedabad University, under the course code BIO205.

Talk to your protein structures. Voice control for PyMOL, ChimeraX, AlphaFold, and Rosetta built on the OpenAI Realtime API with structured tool calling.