https://github.com/janosh/matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.
https://github.com/janosh/matbench-discovery

bayesian-optimization convex-hull high-throughput-search interatomic-potential machine-learning materials-discovery

Last synced: about 1 month ago
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An evaluation framework for machine learning models simulating high-throughput materials discovery.

• Host: GitHub
• URL: https://github.com/janosh/matbench-discovery
• Owner: janosh
• License: mit
• Created: 2022-06-20T18:32:44.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2024-04-26T00:13:15.000Z (12 months ago)
• Last Synced: 2024-05-01T23:40:42.310Z (12 months ago)
• Topics: bayesian-optimization, convex-hull, high-throughput-search, interatomic-potential, machine-learning, materials-discovery
• Language: Python
• Homepage: https://matbench-discovery.materialsproject.org
• Size: 135 MB
• Stars: 70
• Watchers: 8
• Forks: 7
• Open Issues: 3
• Metadata Files:
  • Readme: readme.md
  • Changelog: changelog.md
  • License: license
  • Citation: citation.cff

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