ZnTrack -- Data as Code

19 January 2024

Papers citing "ZnTrack -- Data as Code"

4 / 4 papers shown

Title
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials Peter K. Eastman P. Behara David L. Dotson Raimondas Galvelis John E. Herr ... J. Chodera Benjamin P. Pritchard Yuanqing Wang Gianni De Fabritiis T. Markland 40 105 0 21 Sep 2022
A Community Roadmap for Scientific Workflows Research and Development Rafael Ferreira da Silva Henri Casanova Kyle Chard I. Altintas Rosa M. Badia ... J. L. Peterson L. Ramakrishnan S. Soiland-Reyes D. Thain Matthew Wolf 47 38 0 05 Oct 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 233 1,240 0 08 Jan 2021
MLCask: Efficient Management of Component Evolution in Collaborative Data Analytics Pipelines Zhaojing Luo Sai-Ho Yeung Meihui Zhang Kaiping Zheng Lei Zhu Gang Chen Feiyi Fan Qian Lin K. Ngiam Beng Chin Ooi 44 29 0 17 Oct 2020