"SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine ..."

Peter K. Eastman et al. (2022)

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DOI: 10.48550/ARXIV.2209.10702

access: open

type: Informal or Other Publication

metadata version: 2023-09-30

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  - https://dblp.org/rec/journals/corr/abs-2209-10702
Peter K. Eastman, Pavan Kumar Behara, David L. Dotson, Raimondas Galvelis, John E. Herr, Josh T. Horton, Yuezhi Mao, John D. Chodera, Benjamin P. Pritchard, Yuanqing Wang, Gianni De Fabritiis, Thomas E. Markland:
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials. CoRR abs/2209.10702 (2022)

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