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Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3

Python 52 6 Updated Apr 6, 2025

Custom fork of AlphaFold 3 enabling explicit modeling of crosslinks

Python 3 Updated May 5, 2025

Explicit crosslinks in AlphaFold 3

Python 21 3 Updated Mar 17, 2025

AlphaLink: Integrating crosslinking MS data into OpenFold

Python 67 18 Updated Dec 14, 2023

Code for the ProteinMPNN paper

Jupyter Notebook 1,267 353 Updated Aug 14, 2024

👋 Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz

10 1 Updated Jun 14, 2024
Jupyter Notebook 68 9 Updated Jul 3, 2024

English Template for PKU Doctoral Dissertation

TeX 11 3 Updated May 28, 2022

List of computational protein design research labs

172 13 Updated Feb 9, 2025

Generation of protein sequences and evolutionary alignments via discrete diffusion models

Python 592 93 Updated May 14, 2025

Protein hallucination and inpainting with RoseTTAFold

Python 258 67 Updated Mar 30, 2023

AI-powered ab initio biomolecular dynamics simulation

Python 502 65 Updated Feb 18, 2025

Joint sequence and structure generation with RoseTTAFold sequence space diffusion

Python 312 54 Updated Oct 28, 2024

LLM101n: Let's build a Storyteller

33,419 1,823 Updated Aug 1, 2024

SchNetPack - Deep Neural Networks for Atomistic Systems

Python 843 231 Updated May 9, 2025

This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and force fields for coarse-grained molecular dynamics.

Python 60 6 Updated May 22, 2024

[WIP] Machine Learning Molecular ForceField Training and Deploying Framework

Python 5 Updated May 8, 2025

A beautiful, simple, clean, and responsive Jekyll theme for academics

HTML 12,972 11,808 Updated May 12, 2025

SkyPilot: Run AI and batch jobs on any infra (Kubernetes or 16+ clouds). Get unified execution, cost savings, and high GPU availability via a simple interface.

Python 8,085 648 Updated May 14, 2025

DeepSeek-V2: A Strong, Economical, and Efficient Mixture-of-Experts Language Model

4,889 516 Updated Sep 25, 2024

Symmetry Breaking in Diffusion Model Detected by Relaxed Group Convolution

Jupyter Notebook 1 Updated May 11, 2024

Predict multiple protein conformations using sequence clustering and AlphaFold2.

Jupyter Notebook 155 24 Updated Feb 27, 2025

Open source code for AlphaFold 2.

Python 13,493 2,394 Updated Mar 18, 2025

A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2

Python 95 25 Updated Aug 29, 2023

Inference code for Llama models

Python 58,239 9,766 Updated Jan 26, 2025
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