3 results found Sort:

hwwang55
MolR hwwang55
19
70
mit
1
Chemical-Reaction-Aware Molecule Representation Learning
graph-neural-networks molecule-representation-learning
Created 2021-07-04
44 commits to master branch, last one 2 years ago
yangnianzu0515
MoleOOD yangnianzu0515
6
53
mit
2
Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022).
pytorch graph-classification molecule-representation-learning out-of-distribution-generalization
Created 2022-11-01
10 commits to master branch, last one about a year ago
yangnianzu0515
MoleRec yangnianzu0515
4
48
mit
1
The official implementation of our paper "MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning" (TheWebConf 2023).
medical-records recommender-system electronic-health-records molecule-representation-learning combinatorial-drug-recommendation medication-combination-prediction medication-combination-recommendation
Created 2023-02-12
9 commits to master branch, last one about a year ago