| Name | Version | Summary | date |
| solid-dmft |
3.2.3 |
solid_dmft: a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library |
2024-05-15 17:32:28 |
| viewORCA |
0.2.1 |
This program is designed to allow the user to inspect calculations from ORCA. This is to be used along side the ORCA Reaction Mechanism Tutorial. |
2024-05-14 13:14:25 |
| quacc |
0.8.0 |
A platform to enable high-throughput, database-driven quantum chemistry and computational materials science |
2024-05-12 22:33:21 |
| pymatgen-analysis-defects |
2024.5.11 |
Pymatgen extension for defects analysis |
2024-05-11 18:04:18 |
| pymatgen-io-validation |
0.0.3 |
A comprehensive I/O validator for electronic structure calculations |
2024-05-08 23:24:20 |
| atomate2-turbomole |
0.1.1 |
The atomate2-turbomole package is a workflow package for Turbomole |
2024-03-29 18:52:36 |
| tgm-pymlip |
0.0.2 |
Package of scripts for MLIP training, validation, and deployment developed while in Szilvasi Group |
2024-03-28 18:27:39 |