PyDigger - unearthing stuff about Python


NameVersionSummarydate
atomate2-turbomole 0.1 The atomate2-turbomole package is a workflow package for Turbomole 2024-03-26 21:25:13
quacc 0.7.2 A platform to enable high-throughput, database-driven quantum chemistry and computational materials science 2024-03-26 17:42:10
hitips 1.0.4 HiTIPS: High-Throughput Image Processing Software for FISH data analysis 2024-03-15 19:47:03
atomate2 0.0.14 atomate2 is a library of materials science workflows 2024-02-29 14:34:54
lobsterpy 0.3.8 Package for automatic bonding analysis with Lobster/VASP 2024-02-26 22:08:47
pymatgen-analysis-defects 2024.2.24 Pymatgen extension for defects analysis 2024-02-23 21:49:42
vasp-manager 1.1.4 A simple package to run and analyze VASP calculations 2024-01-17 23:50:29
jobflow 0.1.16 jobflow is a library for writing computational workflows 2024-01-07 13:06:37
iprPy 0.11.6 Interatomic Potential Repository Python Property Calculations and Tools 2023-07-31 21:07:34
HTMACat 1.0.4 A high-throughput modeling, calculation, and analysis framework for catalytic reaction processes. 2023-04-26 08:13:08
PyCondor 0.6.0 Python utility for HTCondor 2022-07-13 10:31:47
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