14 dependents
| Package | Description | Downloads/month |
|---|---|---|
| TUI tool for rapid crystal structure prediction using MLIPs | 12K | |
| A tool to get symmetry proberties of ab-initio wavefunctions, irreduible represe... | 4K | |
| Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025] | 3K | |
| CDVAE property model evaluation for crystal structures | 2K | |
| Crystal Structure Design Software Based on Molecular/Ionic Configuration | 2K | |
| Graph convolutions in Keras with TensorFlow, PyTorch or Jax. | 1K | |
| A package for automated XRD analysis | 1K | |
| Reference implentation of the Automated Small Symmetric Structure Training metho... | 895 | |
| Crystal Structure Prediction for web-based frameworks | 826 | |
| Fitting machine learning interatomic potentials with pyiron | 674 | |
| CrySPY is a crystal structure prediction tool written in Python. | 516 | |
| GPR | 136 | |
| A Python interface for implementation of crystal structure pre-relaxation and pr... | 125 | |
| aesp(Adaptive Evolutionary Structure Predictor) is a crystal structure predictio... | 77 |
