wwl5600
PhD candidate, my current research interests include computer-aided hapten design and antibody evolution
China Agricultural University
wwl5600's Stars
akensert/molgraph
Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
meilerlab/HyperMPNN
HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles
Tessier-Lab-UMich/Human_Ab_Polyreactivity
wnlen/clash-for-linux
clash-for-linux
skalyaanamoorthy/PSLMs
lucidrains/alphafold3-pytorch
Implementation of Alphafold 3 from Google Deepmind in Pytorch
kyegomez/AlphaFold3
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
jwohlwend/boltz
Official repository for the Boltz-1 biomolecular interaction model
PaddlePaddle/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
google-deepmind/alphafold3
AlphaFold 3 inference pipeline.
Z-H-Sun/CS_CCME_Posts
公众号推送备份
dauparas/LigandMPNN
dauparas/ProteinMPNN
Code for the ProteinMPNN paper
guochaoxu2019/NCOMMS-24-05359B
Source data and code
rcsb/py-rcsbsearchapi
Python interface for the RCSB PDB search API.
deepmodeling/Uni-Mol
Official Repository for the Uni-Mol Series Methods
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
oscarwumit/chemprop_developing
Message Passing Neural Networks for Molecule Property Prediction
MiguelArenas/protasr
Automatically exported from code.google.com/p/protasr
kassambara/factoextra
Extract and Visualize the Results of Multivariate Data Analyses
EasyChart/Beautiful-Visualization-with-R
《R语言数据可视化之美》配套代码
shengzizhang/Antibody_MD
ccsb-scripps/AutoDock-GPU
AutoDock for GPUs and other accelerators
ambrishroy/LIGSIFT
LIGSIFT: An open-source tool for ligand structural alignment and virtual screening
nioroso-x3/dr_sasa_n
Solvent Accessible Surface calculation software for biomolecules.
BioSIM-Research-Group/volArea
VolArea is a plug-in of the widely spread molecular graphics software Visual Molecular Dynamics (VMD), which allows the calculation of the volume as well as the surface area of any chemical structure.
MunibaFaiza/tanimoto_similarities
Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.
VlachosGroup/AIMSim
A Python toolbox to work with molecular similarity
alessandronascimento/molshacs
MolShaCS: Molecular Shape and Charge Similarity
RosettaCommons/RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold