PyDigger - unearthing stuff about Python


NameVersionSummarydate
quacc 0.12.1 A platform to enable high-throughput, database-driven quantum chemistry and computational materials science 2025-02-11 23:16:50
pymatgen-analysis-defects 2025.1.18 Pymatgen extension for defects analysis 2025-01-19 04:23:30
autoplex 0.1.1 Automated machine-learned Potential Landscape explorer 2025-01-10 14:32:50
jobflow 0.1.19 jobflow is a library for writing computational workflows 2024-11-22 14:27:11
hitips 1.0.12 HiTIPS: High-Throughput Image Processing Software for FISH data analysis 2024-11-08 20:33:17
lobsterpy 0.5.0 Package for automatic bonding analysis with Lobster/VASP 2024-10-25 17:26:04
asimtools 0.0.2 A lightweight python package for managing and running atomic simulation workflows 2024-10-18 17:24:55
atomate2-turbomole 0.3 The atomate2-turbomole package is a workflow package for Turbomole 2024-09-12 14:32:38
vasp-manager 1.1.4 A simple package to run and analyze VASP calculations 2024-01-17 23:50:29
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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