| Name | Version | Summary | date |
| 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 |