Geometry optimization predictions for PET-OAM-XL v1.0.0 (matbench-discovery)

Figshare 2026 Open access

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Authors: Filippo Bigi
DOI: 10.6084/m9.figshare.31043347
Cited by: 0

Abstract

Geometry optimization predictions for PET-OAM-XL v1.0.0 (matbench-discovery)

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Chemical Physics Studies Computational Drug Discovery Methods

Publication details

Journal / source
Figshare
Publication date
1 January 2026