17 dependents
| Package | Description | Downloads/month |
|---|---|---|
| API Client for the Materials Project | 866K | |
| Be a master builder of databases of material properties. Avoid the Kragle. | 608K | |
| quacc is a flexible platform for computational materials science and quantum che... | 432K | |
| MatterSim: A deep learning atomistic model across elements, temperatures and pre... | 418K | |
| atomate2 is a library of computational materials science workflows | 61K | |
| Be a master builder of databases of material properties. Avoid the Kragle. | 26K | |
| convert CIF data to inputs for XAS calculations with Feff, FDMNES, etc | 7K | |
| Machine-learning accelerated Atomic Computational Environment for automated Rese... | 3K | |
| moftransformer | 2K | |
| Official implementation of MatterGen -- a generative model for inorganic materia... | 425 | |
| The atomate2-turbomole package is a workflow package for Turbomole | 336 | |
| tools for automating job creation and management for DFT calculations | 187 | |
| Determine the optimal material properties and volume fractions for each componen... | 156 | |
| MatterGen is a generative model for inorganic materials design across the period... | 155 | |
| An automated workflow for constructing cluster expansion. | 133 | |
| A VASPsol python helper package to simplify calculations and analysis | 76 | |
| tools for automating job creation and management for DFT calculations | 72 |
