21 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Be a master builder of databases of material properties. Avoid the Kragle. | 355K | |
| Automatic generation of crystal structure descriptions. | 137K | |
| Be a master builder of databases of material properties. Avoid the Kragle. | 26K | |
| Mine MOF oxidation states and featurize metal sites. | 14K | |
| MAterials Simulation Toolkit for Machine Learning (MAST-ML) | 3K | |
| Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025] | 3K | |
| Simmate: a full-stack framework for chemistry research. | 1K | |
| A Python Package used for CoRE MOF Database | 1K | |
| ML Performance and Extrapolation Guide | 1K | |
| MODNet: a framework for machine learning materials properties | 901 | |
| Structure motif-centric learning framework for inorganic crystalline systems. | 773 | |
| Generative materials benchmarking metrics, inspired by guacamol and CDVAE. | 562 | |
| Python package containing a variety of distance functions for crystals, as well ... | 242 | |
| Tools for HRMC with total electron scattering | 205 | |
| Li-ion Intercalation Electrode Materials Exploration using DFT-derived propertie... | 155 | |
| Local Enviroment-induced Atomic Features (LEAF) | 125 | |
| Package to encode and decode crystal structures into text representations | 99 | |
| Coarse-grained Crystal Graph Neural Networks | 71 | |
| A Python implementation of Hybrid Reverse Monte Carlo for electron scattering of... | 65 | |
| Python package to handle MOF structures and perform various analysis. | 63 | |
| AI-driven perovskite solar cell optimization platform with OpenAI Agents SDK | 54 |
