Name | Version | Summary | date |
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 |