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Official repository for the Boltz biomolecular interaction models

Python 3,060 489 Updated Jul 10, 2025

[ICLR 2024 Spotlight] The official repo for the paper "De novo Protein Design using Geometric Vector Field Networks".

Python 30 2 Updated Aug 23, 2024

Path tracing renderer and utilities for three.js built on top of three-mesh-bvh.

JavaScript 1,543 143 Updated Jun 26, 2025

Structure prediction of alternative protein conformations

Jupyter Notebook 76 7 Updated Feb 24, 2025

Example gallery for Mol*, the comprehensive macromolecular library

JavaScript 9 Updated Jun 14, 2024

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Python 3,049 610 Updated Apr 26, 2025

Generates images from mmCIF/BCIF files

TypeScript 40 4 Updated Jun 12, 2025

PyMOL-wasm port's binary and html/javascript code

HTML 27 1 Updated Nov 3, 2023

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

Python 150 39 Updated Mar 2, 2025

Software for biomolecular electrostatics and solvation calculations

C 105 29 Updated Sep 7, 2024

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Python 410 58 Updated Jul 3, 2025

Use commands in English to control Blender with OpenAI's GPT-4

Python 4,816 382 Updated Jun 5, 2024

AI agent microservice

Python 2,818 384 Updated Jul 7, 2025

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

Python 1,043 99 Updated Jul 10, 2025

Open source code for AlphaFold 2.

Python 13,662 2,437 Updated Mar 18, 2025

Certbot is EFF's tool to obtain certs from Let's Encrypt and (optionally) auto-enable HTTPS on your server. It can also act as a client for any other CA that uses the ACME protocol.

Python 32,307 3,435 Updated Jun 27, 2025

A Javascript cheminformatics toolkit.

JavaScript 258 66 Updated Jul 5, 2025

An experimental project to recompile native chemoinformatics libs into JavaScript.

JavaScript 14 5 Updated Jul 13, 2023

A comprehensive macromolecular library

TypeScript 792 194 Updated Jul 6, 2025

Braintree Node.js library

JavaScript 335 104 Updated Jun 26, 2025

WebGL accelerated JavaScript molecular graphics library

Jupyter Notebook 878 211 Updated Jun 26, 2025

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

C 1,408 313 Updated Jun 17, 2025

A simple color picker application written in pure JavaScript, for modern browsers.

JavaScript 214 30 Updated Sep 9, 2022

WebGL protein viewer

TypeScript 699 173 Updated Apr 14, 2025
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