Published March 2, 2026
| Version v1
Dataset
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Data for "Regularity Priors for the Linear Atomic Cluster Expansion"
Authors/Creators
Description
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.
Files
Files
(2.5 MB)
| Name | Size | Download all |
|---|---|---|
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md5:a3dc4825e0dd91d09954ecb4beaa4936
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835.9 kB | Download |
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md5:b4837be24feb9fd69e63609661cedb69
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1.6 MB | Download |