| Name | Version | Summary | date |
| robocrys |
0.2.9 |
Automatic generation of crystal structure descriptions |
2024-04-25 09:51:54 |
| muben |
0.0.2 |
Benchmark for molecular uncertainty estimation. |
2024-04-17 16:23:06 |
| ifermi |
0.3.4 |
Fermi surface plotting tool from DFT output |
2024-02-06 21:14:44 |
| ffonons |
0.1.0 |
A Python package for benchmarking phonon predictions from ML force fields |
2024-01-10 11:40:03 |
| matflow-mtex |
0.1.11 |
Matflow extension for the MTEX MATLAB toolbox. |
2023-10-09 14:01:33 |
| matflow-cipher |
0.3.1 |
MatFlow extension for the phase-field code CIPHER. |
2023-09-05 20:25:01 |
| mkite-db |
0.1.1 |
mkite: distributed computing platform for high-throughput materials simulations |
2023-05-25 14:37:57 |
| mkite-core |
0.1.0 |
distributed computing for high-throughput materials simulation |
2023-04-28 16:53:47 |
| moffragmentor |
0.0.6 |
Splits MOFs into metal nodes and linkers. |
2022-12-24 08:40:35 |
| simphony-osp |
4.0.0 |
Framework for creating interfaces between ontologies and software such as simulation engines, databases and data repositories. |
2022-12-07 14:52:19 |
| osp-core |
3.9.0 |
The native implementation of the SimPhoNy CUDS objects |
2022-12-07 14:27:10 |