atomistic-machine-learning/cG-SchNet: Inverse design of 3d molecular structures with conditional generative neural networks

Published February 21, 2022 | Version v1.0

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Contains code to reproduce published results as well as links to the molecules generated in this work.

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Is supplement to: Journal article: 10.1038/s41467-022-28526-y (DOI); Software: https://github.com/atomistic-machine-learning/cG-SchNet/tree/v1.0 (URL)
Is supplemented by: Dataset: 10.14279/depositonce-14977 (DOI); Other: 10.14279/depositonce-14978 (Handle)

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