PyDigger - unearthing stuff about Python


NameVersionSummarydate
weas-widget 0.0.14 A widget to visualize and interact with atomistic structures in Jupyter Notebook. 2024-03-04 16:07:24
dftbplus-step 2024.1.18 A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. 2024-01-19 00:20:38
read-structure-step 2023.11.16 A SEAMM plug-in to read common formats in computational chemistry 2023-11-16 19:46:01
supercell-step 2023.11.5 A SEAMM plug-in for building supercells of periodic systems. 2023-11-05 22:13:33
dscribe 2.1.0 A Python package for creating feature transformations in applications of machine learning to materials science. 2023-09-06 05:10:15
iprPy 0.11.6 Interatomic Potential Repository Python Property Calculations and Tools 2023-07-31 21:07:34
atomman 1.4.10 Atomistic Manipulation Toolkit 2023-07-30 03:04:58
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
atsim.potentials 0.4.1 atsim.potentials provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS 2022-12-22 20:01:20
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