Simon Axelrod | DeepAI

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Rafael Gómez-Bombarelli
2 publications

research

∙ 12/15/2020

Molecular machine learning with conformer ensembles

Virtual screening can accelerate drug discovery by identifying top candi...

0 Simon Axelrod, et al. ∙

research

∙ 06/09/2020

GEOM: Energy-annotated molecular conformations for property prediction and molecular generation

Machine learning outperforms traditional approaches in many molecular de...

0 Simon Axelrod, et al. ∙

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