| Name | Version | Summary | date |
| multipie |
1.3.2 |
A python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB). |
2024-12-20 02:15:32 |
| symclosestwannier |
1.9.3 |
A Python library for Symmetry-Adapted Closest Wannier (SymCW) Tight-Binding model based on Plane-Wave DFT calculation. |
2024-12-16 13:12:34 |
| hyperfine |
0.1.3 |
None |
2024-11-26 23:27:11 |
| MatFold |
1.2.3 |
Package for systematic insights into materials discovery models’ performance through standardized chemical cross-validation protocols |
2024-11-26 05:29:24 |
| chemiscope |
0.8.3 |
Helpers to work with the chemiscope interactive structure/property explorer for materials and molecules |
2024-11-13 15:32:57 |
| ElMD |
0.5.14 |
An implementation of the Element movers distance for chemical similarity of ionic compositions |
2024-10-26 02:14:16 |
| chem-analysis |
0.0.7 |
Analyzing experimental chemistry data |
2024-09-30 19:27:36 |
| mixscatter |
0.2.3 |
A versatile tool for calculating scattering functions of particle mixtures, particularly for small-angle scattering (SAS) or static and dynamic light scattering (SLS & DLS) applications. |
2024-07-22 10:44:54 |
| tadatakit |
0.1.1 |
A Python library for parsing and handling data exported by TA Instruments' TRIOS JSON Export |
2024-07-17 16:51:53 |
| dscribe |
2.1.1 |
A Python package for creating feature transformations in applications of machine learning to materials science. |
2024-05-28 18:26:12 |
| wfbase |
0.0.2 |
Easy way to compute from first-principles various properties depending on the electronic structure of periodic solids. |
2024-04-30 10:14:51 |
| ElMTreeIndex |
0.1.10 |
A class for performing knn similarity searches on datasets of chemical formula using the ElMD metric |
2024-03-21 23:15:42 |