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fix train dataset links and correct val links and sizes (#963)
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@lbluque
lbluque authored Jan 14, 2025
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Expand Up @@ -30,35 +30,37 @@ same procedure as described in our manuscript.
### OMat24 train split
| Sub-dataset | No. structures | File size | Download |
|:------------------------:|:--------------:|:---------:|:--------------------------------------------------------------------------------------------------------------------------------------------:|
| rattled-1000 | 122,937 | 21 GB | [rattled-1000.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-1000.tar.gz) |
| rattled-1000-subsampled | 41,786 | 7.1 GB |[rattled-1000-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-1000-subsampled.tar.gz) |
| rattled-500 | 75,167 | 13 GB | [rattled-500.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-500.tar.gz) |
| rattled-500-subsampled | 43,068 | 7.3 GB | [rattled-500-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-500-subsampled.tar.gz) |
| rattled-300 | 68,593 | 12 GB | [rattled-300.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-300.tar.gz) |
| rattled-300-subsampled | 37,393 | 6.4 GB | [rattled-300-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-300-subsampled.tar.gz) |
| aimd-from-PBE-1000-npt | 223,574 | 26 GB | [aimd-from-PBE-1000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-1000-npt.tar.gz) |
| aimd-from-PBE-1000-nvt | 215,589 | 24 GB | [aimd-from-PBE-1000-nvt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-1000-nvt.tar.gz) |
| aimd-from-PBE-3000-npt | 65,244 | 25 GB | [aimd-from-PBE-3000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-3000-npt.tar.gz) |
| aimd-from-PBE-3000-nvt | 84,063 | 32 GB | [aimd-from-PBE-3000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-3000-npt.tar.gz) |
| rattled-relax | 99,968 | 12 GB | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-relax.tar.gz) |
| rattled-1000 | 122,937 | 21 GB | [rattled-1000.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-1000.tar.gz) |
| rattled-1000-subsampled | 41,786 | 7.1 GB |[rattled-1000-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-1000-subsampled.tar.gz) |
| rattled-500 | 75,167 | 13 GB | [rattled-500.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-500.tar.gz) |
| rattled-500-subsampled | 43,068 | 7.3 GB | [rattled-500-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-500-subsampled.tar.gz) |
| rattled-300 | 68,593 | 12 GB | [rattled-300.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-300.tar.gz) |
| rattled-300-subsampled | 37,393 | 6.4 GB | [rattled-300-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-300-subsampled.tar.gz) |
| aimd-from-PBE-1000-npt | 223,574 | 26 GB | [aimd-from-PBE-1000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/aimd-from-PBE-1000-npt.tar.gz) |
| aimd-from-PBE-1000-nvt | 215,589 | 24 GB | [aimd-from-PBE-1000-nvt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/aimd-from-PBE-1000-nvt.tar.gz) |
| aimd-from-PBE-3000-npt | 65,244 | 25 GB | [aimd-from-PBE-3000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/aimd-from-PBE-3000-npt.tar.gz) |
| aimd-from-PBE-3000-nvt | 84,063 | 32 GB | [aimd-from-PBE-3000-npt.tar.gz](hhtps://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/aimd-from-PBE-3000-npt.tar.gz) |
| rattled-relax | 99,968 | 12 GB | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/train/rattled-relax.tar.gz) |
| Total | 1,077,382 | 185.8 GB |

### OMat24 val split (this is a 1M subset used to train eqV2 models from the 5M val split)
**_NOTE:_** The original validation sets contained a duplicated structures. Corrected validation sets were uploaded on 20/12/24. Please see this [issue](https://github.com/FAIR-Chem/fairchem/issues/942)
for more details, an re-download the correct version of the validation sets if needed.

| Sub-dataset | Size | File Size | Download |
|:-----------------------:|:---------:|:---------:|----------------------------------------------------------------------------------------------------------------------------------------------:|
| rattled-1000 | 122,937 | 229 MB | [rattled-1000.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-1000.tar.gz) |
| rattled-1000-subsampled | 41,786 | 80 MB | [rattled-1000-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-1000-subsampled.tar.gz) |
| rattled-500 | 75,167 | 142 MB | [rattled-500.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-500.tar.gz) |
| rattled-500-subsampled | 43,068 | 82 MB | [rattled-500-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-500-subsampled.tar.gz) |
| rattled-300 | 68,593 | 128 MB | [rattled-300.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-300.tar.gz) |
| rattled-300-subsampled | 37,393 | 72 MB | [rattled-300-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-300-subsampled.tar.gz) |
| aimd-from-PBE-1000-npt | 223,574 | 274 MB | [aimd-from-PBE-1000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-1000-npt.tar.gz) |
| aimd-from-PBE-1000-nvt | 215,589 | 254 MB | [aimd-from-PBE-1000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-1000-nvt.tar.gz) |
| aimd-from-PBE-3000-npt | 65,244 | 296 MB | [aimd-from-PBE-3000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-3000-npt.tar.gz) |
| aimd-from-PBE-3000-nvt | 84,063 | 382 MB | [aimd-from-PBE-3000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/aimd-from-PBE-3000-nvt.tar.gz) |
| rattled-relax | 99,968 | 124 MB | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241018/omat/val/rattled-relax.tar.gz) |
| Total | 1,077,382 | 2.1 GB |
| rattled-1000 | 117,004 | 218 MB | [rattled-1000.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-1000.tar.gz) |
| rattled-1000-subsampled | 39,785 | 77 MB | [rattled-1000-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-1000-subsampled.tar.gz) |
| rattled-500 | 71,522 | 135 MB | [rattled-500.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-500.tar.gz) |
| rattled-500-subsampled | 41,021 | 79 MB | [rattled-500-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-500-subsampled.tar.gz) |
| rattled-300 | 65,235 | 122 MB | [rattled-300.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-300.tar.gz) |
| rattled-300-subsampled | 35,579 | 69 MB | [rattled-300-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-300-subsampled.tar.gz) |
| aimd-from-PBE-1000-npt | 212,737 | 261 MB | [aimd-from-PBE-1000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-1000-npt.tar.gz) |
| aimd-from-PBE-1000-nvt | 205,165 | 251 MB | [aimd-from-PBE-1000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-1000-nvt.tar.gz) |
| aimd-from-PBE-3000-npt | 62,130 | 282 MB | [aimd-from-PBE-3000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-3000-npt.tar.gz) |
| aimd-from-PBE-3000-nvt | 79,977 | 364 MB | [aimd-from-PBE-3000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-3000-nvt.tar.gz) |
| rattled-relax | 95,206 | 118 MB | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-relax.tar.gz) |
| Total | 1,025,361 | 1.98 GB |


### sAlex Dataset
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