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12/03/2022
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
Deep learning models that leverage large datasets are often the state of...
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10/23/2019
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules
Predicting the relationship between a molecule's structure and its odor ...
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11/29/2018
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Deep generative models such as generative adversarial networks, variatio...
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05/30/2017
