`matbench-discovery`

A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures

Ecosystem
pypi.org

Latest Release
1.3.1
about 2 years ago

Versions
10

Downloads
1,861 last month

Readme

PURL	`pkg:pypi/matbench-discovery` spec
License	MIT
First Release	over 3 years ago
Last Synced	22 days ago

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

Stars	255 on GitHub
Forks	73 on GitHub

repos.ecosyste.ms

ecosyste.ms