# minoru938/cspml

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29 stars · 7 forks · Jupyter Notebook · MIT

## Links

- GitHub: https://github.com/Minoru938/CSPML
- awesome-repositories: https://awesome-repositories.com/repository/minoru938-cspml.md

## Description

CSPML is a unique methodology for the crystal structure prediction (CSP) that relies on a machine learning algorithm (binary classification neural network model). CSPML predicts a stable structure for any given query composition, by automatically selecting from a crystal structure database a set…

## Tags

### Part of an Awesome List

- [Materials Discovery](https://awesome-repositories.com/f/awesome-lists/ai/materials-discovery.md) — Machine learning-based element substitution for crystal structure prediction.