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12 stars written in Python
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AlphaFold 3 inference pipeline.

Python 7,797 1,167 Updated Apr 1, 2026

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

Python 1,233 118 Updated Apr 3, 2026

📐 Symmetry-corrected RMSD in Python

Python 115 11 Updated Mar 30, 2026

Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile

Python 72 2 Updated Aug 26, 2024
Python 59 9 Updated Feb 17, 2026

Fully automated docking pipeline (can be run in distributed environments)

Python 55 17 Updated Apr 1, 2026

Glycan Analysis and Glycoinformatics Library for Python

Python 37 14 Updated May 22, 2025

Autoregressive fragment-based diffusion for target-aware ligand design

Python 33 1 Updated May 23, 2024

LIT-AlphaFold is a modified version of AlphaFold developed in the Laboratoire d'Innovation Thérapeutique (LIT) at the University of Strasbourg.

Python 4 Updated Nov 7, 2024

Code for training OCSVM models for agonist detection

Python 3 1 Updated Apr 24, 2023