"libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for ..."

Jocelyn Sunseri, David Ryan Koes (2020)

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DOI: 10.1021/ACS.JCIM.9B01145

access: closed

type: Journal Article

metadata version: 2021-09-01

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Jocelyn Sunseri, David Ryan Koes:
libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications. J. Chem. Inf. Model. 60(3): 1079-1084 (2020)

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