Central repository for biomolecular foundation models with shared trainers and pipeline components

Official repository of "ODesign: A World Model for Biomolecular Interaction Design"

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

中文的Latex模板，适合课程论文，笔记，报告什么的。

Protein Graph Library

This is the official codebase for methylGPT : a foundation model for the DNA methylome.

Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)

This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)

Toward High-Accuracy Open-Source Biomolecular Structure Prediction.

Integrative protein sequence design with evolutionary multiobjective optimization.

GAOptimizer is a script that uses a genetic algorithm to optimize the combination of consensus mutations that stabilize a protein structure.

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Sample codes for my book on molecular dynamics simulation

A comprehensive benchmark on the performances of multiple protein backbone generative models.

Fully automated high-throughput MD pipeline

[ICLR 2025] Rectified Diffusion: Straightness Is Not Your Need

AlphaFold 3 inference pipeline.

List of papers about Proteins Design using Deep Learning

A foundation model approach to guide antimicrobial peptide design in the era of artificial intelligence driven scientific discovery

Protein Ligand INteraction Dataset and Evaluation Resource

code for ConBAP