Datasets:

facebook
/

OMAT24

@@ -69,26 +69,6 @@ for more details, an re-download the correct version of the validation sets if n
 | rattled-relax    | 95,206 | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-relax.tar.gz)     |
 | Total    | 1,025,361 | -     |
-##### <ins> 1M Subsplit </ins>
-We provide a 1M training randomly subsampled split, and the corresponding validation and test so that it is easier to iterate and develop before training on the full dataset.
-Download: [omat24_1M](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/251210/omat24_1M_251210.tar.gz)
-| Train sub-dataset | Size |
-| :-----: | :--: |
-| rattled-1000    | 113,337 |
-| rattled-1000-subsampled   | 38,603 |
-| rattled-500    | 68,885 |
-| rattled-500-subsampled    | 39,548 |
-| rattled-300    | 62,894 |
-| rattled-300-subsampled    | 34,462 |
-| aimd-from-PBE-1000-npt    | 211,578 |
-| aimd-from-PBE-1000-nvt    | 201,512 |
-| aimd-from-PBE-3000-npt    | 60,477 |
-| aimd-from-PBE-3000-nvt    | 78,011 |
-| rattled-relax    | 100,543 |
-| Total    | 1,009,850 |
 ### sAlex Dataset
 We also provide the sAlex dataset used for fine-tuning of our OMat models. sAlex is a subsampled, Matbench-Discovery compliant, version of the original [Alexandria](https://alexandria.icams.rub.de/).
 sAlex was created by removing structures matched in WBM and only sampling structure along a trajectory with an energy difference greater than 10 meV/atom. For full details,

 | rattled-relax    | 95,206 | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-relax.tar.gz)     |
 | Total    | 1,025,361 | -     |
 ### sAlex Dataset
 We also provide the sAlex dataset used for fine-tuning of our OMat models. sAlex is a subsampled, Matbench-Discovery compliant, version of the original [Alexandria](https://alexandria.icams.rub.de/).
 sAlex was created by removing structures matched in WBM and only sampling structure along a trajectory with an energy difference greater than 10 meV/atom. For full details,

references/README.md DELETED Viewed

@@ -1,7 +0,0 @@
-OMat24 references and corrections
----------------------------------
-- `OMat24Compatibility.yaml` contains MaterialsProject2020 style corrections, that can be used to compute formation energies mixing GGA/GGA+U based predictions.
-- `omat-elemental-reference-compounds.json.gz` Contains OMat24 DFT relaxations results for the lowest energy unaries in the Materials Project.
-   These can be used to compute formation energies for OMat24 DFT calculations or OMat24 trained models.
-- `element-references.yaml` contains elemental references used as normalization when training models.

references/element-references.yaml DELETED Viewed

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references/omat-elemental-reference-compounds.json.gz DELETED Viewed

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