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20132020
most citedTraining neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality

108 citations · 159 across the 5 of their papers we have counts for

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physics.comp-ph2020★ 24 cited

A community-powered search of machine learning strategy space to find NMR property prediction models

Lars A. Bratholm, Will Gerrard, Brandon Anderson +26

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 st…