ChuNan Liu's repositories
esmfold-docker-image
Create a docker image for running ESMFold, solved conflicts between ESMFold and OpenFold dependencies
alphafold
Open source code for AlphaFold.
CDRConformationClassification
Antibody CDR loop conformation clusteirng using Affinity Propagation
Convert2vscSnippet
a simple shell script to convert a piece of code to vscode snippet
graphein
Protein Graph Library
seqres2atmseq
Align the SEQRES sequence with the ATMSEQ sequence of a protein chain and output a list of mask (0: a missing residue in the ATMSEQ; 1: match)
AttnPacker
Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"
Awesome-Diffusion-Models
A collection of resources and papers on Diffusion Models
bioptools
Tools making use of BiopLib
d2l-zh
《动手学深度学习》：面向中文读者、能运行、可讨论。中英文版被60多个国家的400多所大学用于教学。
DiffDock-PP
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
DLPacker
DLPacker
Docker-AWS-Crash-Course
Workshop: Deploy docker container on AWS
ec2-dev-env-prep
Prepare EC2 instance development environment
equiformer-pytorch
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
Graph-Posterior-Network
Graph Posterior Network: Bayesian Predictive Uncertainty for Node Classification (NeurIPS 2021)
hydra
Hydra is a framework for elegantly configuring complex applications
lightning-geometric
Integrate pytorch
Paragraph
Antibody paratope prediction using Graph Neural Networks with minimal feature vectors
pdb-wise-analysis
PDB wise analysis topcis
pre-training-via-denoising
Official implementation of pre-training via denoising for TorchMD-NET
RFDesign
Protein hallucination and inpainting with RoseTTAFold
se3_diffusion
Implementation for SE(3) diffusion model with application to protein backbone generation