Pinned Repositories
3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
_2022_ML-ddG-Blaabjerg
ab-ag-seq-machine-learning
ab-gen
ab_opt
Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
ab_rmsd
Calculate the RMSD between two antibody structure (including nanobody and antibody).
AbDev
abdockgen
AbFlex
RFDesign
Protein hallucination and inpainting with RoseTTAFold
kehan777's Repositories
kehan777/AI2BMD
AI-powered ab initio biomolecular dynamics simulation
kehan777/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
kehan777/alphafold3
AlphaFold 3 inference pipeline.
kehan777/alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
kehan777/AlphaPPImd
Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks
kehan777/BFEE2
binding free energy estimator 2
kehan777/BindCraft
User friendly and accurate binder design pipeline
kehan777/boltz
Official repository for the Boltz-1 biomolecular interaction model
kehan777/chai-lab
Chai-1, SOTA model for biomolecular structure prediction
kehan777/ColabDesign
Making Protein Design accessible to all via Google Colab!
kehan777/ColabDock
Code for ColabDock paper
kehan777/DeepSP
DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences.
kehan777/DiffAbXL
The official implementation of DiffAbXL benchmarked in the paper "Benchmarking Generative Models for Antibody Design".
kehan777/discotope3_web
DiscoTope-3.0: Improved B-cell epitope prediction using AlphaFold2 modeling and inverse folding latent representations
kehan777/GeoStab
kehan777/gromacs-ramd
Random Acceleration Molecular Dynamics in GROMACS
kehan777/heme_binder_diffusion
kehan777/HuDiff
Code for humanization of antibody and nanobody
kehan777/ImmuneBuilder
Predict the structure of immune receptor proteins
kehan777/korpm
Predicting the effect of mutations on protein stability using a simple orientational potential.
kehan777/MAPE-PPI
Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"
kehan777/MpbPPI
MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein interactions
kehan777/neurosnap
Collection of useful bioinformatic functions and tools for various computational biology pipelines
kehan777/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
kehan777/ProBID-NET
kehan777/prodigy
Repository containing various scripts to predict the binding affinity of protein-protein complexes from structure
kehan777/propermab
kehan777/Protenix
A trainable PyTorch reproduction of AlphaFold 3.
kehan777/SPIRED-Fitness
kehan777/tfold
open source code for Tencent tFold