PyDigger - unearthing stuff about Python


NameVersionSummarydate
matbench-discovery 1.1.1 A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures 2024-01-28 14:19:42
matcalc 0.0.4 Calculators for materials properties from the potential energy surface. 2024-01-01 18:51:11
iprPy 0.11.6 Interatomic Potential Repository Python Property Calculations and Tools 2023-07-31 21:07:34
potentials 0.3.7 API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties. 2023-07-27 17:47:16
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