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/AbLEF
Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction
kehan777/AbMelt
kehan777/abodybuilder3
kehan777/AlphaFastPPi
Fast AlphaFold-Multimer based pipeline for Protein-Protein Interaction (PPI) screening
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/AntiFold
Improved antibody structure-based design using inverse folding
kehan777/BFEE2
binding free energy estimator 2
kehan777/chai-lab
Chai-1, SOTA model for biomolecular structure prediction
kehan777/DBMD
Deep Boosted Molecular Dynamics
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/DockQ
DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
kehan777/GearBind
Pretrainable geometric graph neural network for antibody affinity maturation
kehan777/GeoAB
This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)
kehan777/gromacs-ramd
Random Acceleration Molecular Dynamics in GROMACS
kehan777/H3-OPT
kehan777/InstructPLM
The first large protein language model trained follows structure instructions.
kehan777/KarmaLoop
Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop
kehan777/NVFlare
NVIDIA Federated Learning Application Runtime Environment
kehan777/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
kehan777/pinder
PINDER: The Protein INteraction Dataset and Evaluation Resource
kehan777/ProLLaMA
A Protein Large Language Model for Multi-Task Protein Language Processing
kehan777/ProLLM
We propose Protein Chain of Thought (ProCoT), which replicates the biological mechanism of signaling pathways as natural language prompts. ProCoT considers a signaling pathway as a protein reasoning process, which starts from upstream proteins and passes through several intermediate proteins to transmit biological signals to downstream proteins.
kehan777/Prompt-DDG
Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning"
kehan777/PromptMSP
kehan777/RoseTTAFold-All-Atom
kehan777/S3AI
kehan777/SPIRED-Fitness
kehan777/structural-evolution
kehan777/tfold
open source code for Tencent tFold