Published August 18, 2025
| Version v1
Dataset
Open
Dataset for "MACE-H: Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing"
Authors/Creators
-
1.
University of Warwick
Description
This database contains the processed (projected and sparsified) gold dataset, training configuration files, python environment files, and postprocesing scripts to reproduce results in the paper "MACE-H: Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing".
More information on the data format and model training can be found in the `README.md` file.
Files
README.md
Files
(31.5 GB)
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md5:80bc24e93334fcc1f9071876a2e5325f
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2.1 kB | Download |
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md5:25ae8690f7ce2f8af8d69821b3993155
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3.8 GB | Download |
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md5:34e80384fb931595282a3c520a46038d
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7.2 kB | Download |
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md5:2f0d82e79df9d2c997e6d43f874ad685
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27.6 GB | Download |
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md5:4e987061c3e43221500f0cbda4c0e14b
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7.9 kB | Download |
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md5:15194672af4ca1449b1de21e4827792f
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8.7 kB | Preview Download |