molecule-representation-learning topic
List
molecule-representation-learning repositories
MolR
69
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19
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Chemical-Reaction-Aware Molecule Representation Learning
MoleRec
54
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4
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The official implementation of our paper "MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning" (TheWebConf 2023).
MoleOOD
52
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6
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Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022).