Commit History

usage: load_dataset alias and EnergyEstimator.from_lematerial
1263768
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Asteri2themoon commited on

estimator: usage of the energy above the hull
dcaac49
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Asteri2themoon commited on

hull without OQMD structures, energy correction of the orb-v3 estimator
152e003
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Asteri2themoon commited on

add the convex hull of LeMat-Bulk PBE (hull.hdf5)
5812a64
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Asteri2themoon commited on

add an overview of the files to the dataset card
d60d65b
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Asteri2themoon commited on

add complete LeMat-Bulk PBE preprocessed with pycrystalgen (all and unique)
40bf025
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Asteri2themoon commited on

Update README.md
0451cc5
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Elohan commited on

update dataset files
082f846
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Elohan commited on

Update README.md
441d185
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Elohan commited on

Upload lematerial_metastables_w_energies.cif
1637e3b
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Elohan commited on

Added metastable file description to datacard
9cdd772
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Elohan commited on

Upload lematerial_metastables.cif
6b8f77d
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Elohan commited on

upload a tiny (70 structures, 10 per crystal system) subset of lematerial for download testing
a481423
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Elohan commited on

Update README.md
1259c40
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Elohan commited on

add crystal system specific subsets
733950f
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Elohan commited on

Update README.md
e7fb120
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Elohan commited on

Update README.md
a5f3057
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Elohan commited on

Update README.md
43e4be7
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Elohan commited on

Update README.md
2f5d125
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Elohan commited on

Create README.md
94fbcba
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Elohan commited on

Upload lematerial.cif
ca5d944
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Elohan commited on

initial commit
965f2dc
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Elohan commited on