XuhanLiu

Xuhan Liu's repositories

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology

Language:PythonMIT186 8 20

PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations

Language:PythonMIT26 20

Attention is all you need

Language:Python200

Deep Generative modelling for antibiotic molecules

MIT100

Ligands' eye attention at Protein Similarity

Language:PythonGPL-3.0100

LSTM-based Ensemble Malonylation Predictor

Language:PythonGPL-3.01 10

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

Language:PythonApache-2.0010