https://github.com/hackingmaterials/automatminer

An automatic engine for predicting materials properties.
https://github.com/hackingmaterials/automatminer

machine-learning material-properties pipeline prediction

Last synced: about 2 months ago
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An automatic engine for predicting materials properties.

• Host: GitHub
• URL: https://github.com/hackingmaterials/automatminer
• Owner: hackingmaterials
• License: other
• Created: 2018-05-10T18:27:08.000Z (about 8 years ago)
• Default Branch: main
• Last Pushed: 2023-11-12T10:09:39.000Z (over 2 years ago)
• Last Synced: 2025-12-15T13:12:46.924Z (6 months ago)
• Topics: machine-learning, material-properties, pipeline, prediction
• Language: Python
• Homepage:
• Size: 50.7 MB
• Stars: 169
• Watchers: 8
• Forks: 53
• Open Issues: 50
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE

Awesome Lists containing this project

README

          


automatminer is an automatic prediction engine for materials properties.

| Tests  |   Code Coverage   |  Codacy | Release |

|:----------:|:-------------:|:------:|:------:|

| [![CircleCI](https://img.shields.io/circleci/project/github/hackingmaterials/automatminer/master.svg)](https://circleci.com/gh/hackingmaterials/automatminer) | [![Codacy Badge](https://img.shields.io/codacy/coverage/aa63dd7aa85e480bbe0e924a02ad1540.svg?colorB=brightgreen)](https://www.codacy.com/app/ardunn/automatminer) | [![Codacy Badge](https://img.shields.io/codacy/grade/aa63dd7aa85e480bbe0e924a02ad1540.svg)](https://www.codacy.com/app/ardunn/automatminer) | [![PyPI version](https://img.shields.io/pypi/v/automatminer.svg?colorB=blue)](https://pypi.org/project/automatminer/) |

- [**Website (including documentation)**](https://hackingmaterials.lbl.gov/automatminer/)

- [**Help/Support**](https://discuss.matsci.org/c/matminer)

- [**Source**](https://github.com/hackingmaterials/automatminer)

If you're interested in the benchmarking datasets, see our dedicated package [Matbench](https://github.com/hackingmaterials/matbench):

- [**Leaderboard and Docs**](https://matbench.materialsproject.org)

- [**Source**](https://github.com/materialsproject/matbench)

You may also be interested in the parent code of automatminer, matminer:

- [**Matminer**](https://github.com/hackingmaterials/matminer)

If you find `automatminer` or Matbench useful. useful, please consider citing [our paper](https://doi.org/10.1038/s41524-020-00406-3):

```

Dunn, A., Wang, Q., Ganose, A., Dopp, D., Jain, A. Benchmarking Materials Property

Prediction Methods: The Matbench Test Set and Automatminer Reference Algorithm. npj 

Computational Materials 6, 138 (2020). https://doi.org/10.1038/s41524-020-00406-3

```

`automatminer` is `pip` installable. Please use versions `1.0.0` forward.