kehan777

Pinned Repositories

3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
Language:Python0 0 00
_2022_ML-ddG-Blaabjerg
Language:Python0 0 00
ab-ag-seq-machine-learning
Language:Python0 0 00
ab-gen
Language:Jupyter Notebook2 0 01
ab_opt
Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
Language:Python0 0 00
ab_rmsd
Calculate the RMSD between two antibody structure (including nanobody and antibody).
Language:Python0 0 00
ABAmy2
AB-Amy 2.0 offers a better and more robust tool for amyloidogenic risk prediction of therapeutic antibody light chain
Language:Python00
AbDev
Language:Jupyter Notebook0 0 00
abdockgen
Language:Python0 0 00
RFDesign
Protein hallucination and inpainting with RoseTTAFold
Language:Python1 0 00

kehan777's Repositories

kehan777/AbDev
Language:Jupyter Notebook0 0 00
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
Language:Python
kehan777/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
Language:Python0 0
kehan777/alphafold3
AlphaFold 3 inference pipeline.
Language:Python
kehan777/alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
Language:Python
kehan777/AntiBinder
kehan777/BindCraft
User friendly and accurate binder design pipeline
Language:Python
kehan777/boltz
Official repository for the Boltz-1 biomolecular interaction model
Language:Python
kehan777/chai-lab
Chai-1, SOTA model for biomolecular structure prediction
Language:Python
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/GeoStab
Language:Python
kehan777/igdesign
kehan777/ImmuneBuilder
Predict the structure of immune receptor proteins
Language:Jupyter Notebook0 0
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/MAPE-PPI
Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"
Language:Python0 0
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
Language:Python
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
Language:Python
kehan777/prestoi
Predicting stoichiometry of protein complexes using AlphaFold3 and structural templates
kehan777/prodigy
Repository containing various scripts to predict the binding affinity of protein-protein complexes from structure
Language:Python
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.
Language:Python
kehan777/Pythia
Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations
Language:Python
kehan777/pythia_ppi
PPI version of Pythia
Language:Python
kehan777/SketchMol-v1
Official implementation of SketchMol.
kehan777/SPIRED-Fitness
Language:Python0 0
kehan777/tfold
open source code for Tencent tFold
Language:Python0 0