Data for "Regularity Priors for the Linear Atomic Cluster Expansion"
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This repository contains the data to support "Regularity Priors for the Linear Atomic Cluster Expansion". The provided configurations are single Aspirin molecules, generated by apply random rotations to dihedral angles. The energies and forces were computed using the same DFT settings as for revised MD17.
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Zenodo创建时间：
2026-03-02
