XuhanLiu

Application deep learning in the field of drug discovery

Leiden University

Pinned Repositories

Antibio
Deep Generative modelling for antibiotic molecules
1 1 01
DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
Language:Python199 8 2068
Leaps
Ligands' eye attention at Protein Similarity
Language:Python1 1 01
lemp
LSTM-based Ensemble Malonylation Predictor
Language:Python1 1 01
NGFP
PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
Language:Python26 2 012
selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
Language:Python0 1 00
Transformer
Attention is all you need
Language:Python2 2 00

XuhanLiu's Repositories

XuhanLiu/DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
Language:Python199 8 2068
XuhanLiu/NGFP
PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
Language:Python26 2 012
XuhanLiu/Transformer
Attention is all you need
Language:Python2 2 00
XuhanLiu/Antibio
Deep Generative modelling for antibiotic molecules
1 1 01
XuhanLiu/Leaps
Ligands' eye attention at Protein Similarity
Language:Python1 1 01
XuhanLiu/lemp
LSTM-based Ensemble Malonylation Predictor
Language:Python1 1 01
XuhanLiu/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
Language:Python0 1 00