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Found 2 papers, 1 papers with code
CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation
Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery.
Improving Small Molecule Generation using Mutual Information Machine
We achieve state-of-the-art results in several constrained single property optimization tasks as well as in the challenging task of multi-objective optimization, improving over previous success rate SOTA by more than 5\% .
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