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pypi.org : matbench-discovery
A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures
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purl: pkg:pypi/matbench-discovery
Keywords: Bayesian optimization, convex hull, high-throughput search, inorganic crystal stability, interatomic potential, machine learning, materials discovery, bayesian-optimization, convex-hull, high-throughput-search, interatomic-potential, machine-learning, materials-discovery
License: Other
Latest release: 4 months ago
First release: over 1 year ago
Downloads: 48 last month
Stars: 70 on GitHub
Forks: 7 on GitHub
See more repository details: repos.ecosyste.ms
Funding links: https://github.com/sponsors/janosh
Last synced: 21 days ago