most citedCalibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS

4 citations · 4 across the 1 of their papers we have counts for

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1 paper

cs.CE2022★ 4 cited

Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS

Gary Tom, Riley J. Hickman, Aniket Zinzuwadia +3

Deep learning models that leverage large datasets are often the state of the art for modelling molecular properties. When the datasets are smaller (< 2000 molecules), it is not cle…