An evaluation framework for machine learning models simulating high-throughput materials discovery.

bayesian-optimization convex-hull high-throughput-search interatomic-potential machine-learning materials-discovery
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AI Summary: Add a new ensemble model entry to the Matbench Discovery leaderboard. This involves creating an ensemble model (e.g., by averaging predictions from existing models) and submitting the results for inclusion on the leaderboard, following the project's contribution guidelines.

Complexity: 3/5
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An evaluation framework for machine learning models simulating high-throughput materials discovery.

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