XuhanLiu

Application deep learning in the field of drug discovery

Leiden University

Pinned Repositories

Antibio
Deep Generative modelling for antibiotic molecules
11
DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
Language:Python187 8 2065
Leaps
Ligands' eye attention at Protein Similarity
Language:Python11
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:Python20

XuhanLiu's Repositories

XuhanLiu/DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
Language:Python187 8 2065
XuhanLiu/NGFP
PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
Language:Python26 2 012
XuhanLiu/Transformer
Attention is all you need
Language:Python20
XuhanLiu/Antibio
Deep Generative modelling for antibiotic molecules
11
XuhanLiu/Leaps
Ligands' eye attention at Protein Similarity
Language:Python11
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