most citedSPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

13 citations · 13 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2022★ 13 cited

SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

Peter Eastman, Pavan Kumar Behara, David L. Dotson +9

Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe…