molecule-representation-learning

There are 0 repository under molecule-representation-learning topic.

hwwang55 / MolR
Chemical-Reaction-Aware Molecule Representation Learning
graph-neural-networks molecule-representation-learning
Language:Python 70
yangnianzu0515 / MoleOOD
Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022).
graph-classification molecule-representation-learning out-of-distribution-generalization pytorch
Language:Python 53
yangnianzu0515 / MoleRec
The official implementation of our paper "MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning" (TheWebConf 2023).
medical-records medication-combination-prediction molecule-representation-learning recommender-system combinatorial-drug-recommendation medication-combination-recommendation electronic-health-records
Language:Python 47

hwwang55 / MolR