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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)
A trainable PyTorch reproduction of AlphaFold 3.
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.
[ICLR 2025] Rectified Diffusion: Straightness Is Not Your Need
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
Python Toolbox For Rosetta Silent Files Processing
This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)
A collection of awesome LaTeX Thesis/Dissertation templates and beyond! //（LaTeX / Word / Typst / Markdown 格式的学位论文、演示文稿、报告、项目申请书、简历、书籍等模板收藏）
Molecular docking with Alchemical Interaction Grids
Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >