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metatensorとmetatomic:相互運用可能な原子論的機械学習のための基盤ライブラリ
Filippo Bigi1, Joseph W Abbott1, Philip Loche1
1Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
The Journal of chemical physics
|February 11, 2026
まとめ
新しいソフトウェアライブラリであるmetatensorとmetatomicは、機械学習(ML)と原子論的シミュレーションを橋渡しします。これらのツールは、データの共有とモデルのポータビリティを容易にし、材料科学シミュレーションにおけるMLの採用を強化します。
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