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).
ABAmy2
AB-Amy 2.0 offers a better and more robust tool for amyloidogenic risk prediction of therapeutic antibody light chain
AbDev
abdockgen
RFDesign
Protein hallucination and inpainting with RoseTTAFold
kehan777's Repositories
kehan777/AbDev
kehan777/AbX_public
Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints
kehan777/AI2BMD
AI-powered ab initio biomolecular dynamics simulation
kehan777/alphafold3
AlphaFold 3 inference pipeline.
kehan777/alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
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/DeepNano
Repository for paper Nanobody–antigen interaction prediction with ensemble deep learning and prompt-based protein language models.
kehan777/FlowDock
Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction (CASP16)
kehan777/gate
Graph transformer for estimating protein model accuracy
kehan777/gromacs
kehan777/igdesign
kehan777/IgGM
[ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design
kehan777/immunefold
Official open-source of Accurate structure prediction of immune proteins using parameter-efficient transfer learning
kehan777/ktransformers
A Flexible Framework for Experiencing Cutting-edge LLM Inference Optimizations
kehan777/MT-TopLap
Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation
kehan777/n8n
Fair-code workflow automation platform with native AI capabilities. Combine visual building with custom code, self-host or cloud, 400+ integrations.
kehan777/neurosnap
Collection of useful bioinformatic functions and tools for various computational biology pipelines
kehan777/PBEE
A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes
kehan777/PDFMathTranslate
PDF scientific paper translation with preserved formats - 基于 AI 完整保留排版的 PDF 文档全文双语翻译，支持 Google/DeepL/Ollama/OpenAI 等服务，提供 CLI/GUI/Docker
kehan777/prestoi
Predicting stoichiometry of protein complexes using AlphaFold3 and structural templates
kehan777/propermab
kehan777/proteinmpnn_ddg
Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.
kehan777/Protenix
A trainable PyTorch reproduction of AlphaFold 3.
kehan777/Pythia
Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations
kehan777/pythia_ppi
PPI version of Pythia
kehan777/RFantibody
kehan777/SketchMol-v1
Official implementation of SketchMol.
kehan777/tfold
open source code for Tencent tFold