NMR J-coupling
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Benchmarks
QM9
결과 4개
Most implemented
Papers
A community-powered search of machine learning strategy space to find NMR property prediction models
2020-08-13
· Lars A. Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai 외
The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can …
BIG-bench Machine LearningMolecular Property PredictionNMR J-couplingProperty Prediction