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Quantum Refinement Module

Python 27 9 Updated Sep 23, 2025

python CAST packet

Python 2 Updated Jul 17, 2025

Program to find drug-like RNA-ligand binding pockets.

Python 14 4 Updated Aug 5, 2025
C++ 5 2 Updated Jun 12, 2025

pyKVFinder: Python-C parallel KVFinder

Python 27 10 Updated Sep 19, 2025

An open-source Python package for generation of SMART probe pockets and calculation of molecular descriptors.

Python 7 Updated Dec 23, 2024
Python 86 15 Updated Feb 14, 2024

AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the mod…

C++ 108 20 Updated Sep 30, 2025

Cell2Sentence: Teaching Large Language Models the Language of Biology

Jupyter Notebook 625 89 Updated Oct 15, 2025
Python 64 2 Updated Jul 22, 2025
Python 887 67 Updated Oct 24, 2025

An interactive learning resource for next-generation sequencing (NGS) techniques

JavaScript 34 7 Updated Oct 12, 2018

Skala exchange-correlation functional

Python 136 17 Updated Oct 17, 2025

ProTrek: illuminating the Protein Universe through Trimodal Protein Language Model

Python 162 17 Updated Oct 19, 2025

Python tool for the discovery of similar 3D structural motifs across protein structures.

Python 34 2 Updated Nov 18, 2023

Fast indexing and search of discontinuous motifs in protein structures

Rust 91 9 Updated Oct 24, 2025

mBER - Manifold Binder Engineering and Refinement. mBER enables antibody binder design by leveraging structure templates and sequence conditioning in backprop design through AlphaFold-Multimer. Pre…

Python 68 8 Updated Oct 9, 2025

A domain parser for Alphafold models

Python 2 1 Updated Apr 9, 2024

Sidechain conditioning and modeling for full-atom protein sequence design

Python 124 21 Updated Jun 23, 2025

NEFF Calculator and MSA File Converter

C++ 12 1 Updated Sep 16, 2025

Official repository for "Energy Matching: Unifying Flow Matching and Energy-Based Models for Generative Modeling" [NeurIPS 2025]

Jupyter Notebook 172 8 Updated Oct 18, 2025

cuDF - GPU DataFrame Library

C++ 9,275 980 Updated Oct 25, 2025

NumPy & SciPy for GPU

Python 10,567 961 Updated Oct 24, 2025

A generalized computational framework for biomolecular modeling.

Python 309 26 Updated Oct 23, 2025
Python 56 4 Updated Aug 11, 2025

The software system of improving AlphaFold2- and AlphaFold-Multimer-based protein tertiary & quaternary structure prediction. It was developed by the Bioinformatics and Machine Learning Lab at the …

Python 30 8 Updated Dec 14, 2023

Differentiable Pairing using Soft Scores

Jupyter Notebook 8 1 Updated May 20, 2024
Python 47 7 Updated Jun 25, 2025
Python 12 3 Updated Jul 17, 2025

Inference code for PoET: A generative model of protein families as sequences-of-sequences

Python 82 5 Updated Apr 24, 2024
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