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Updated ratio column name
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shenoynikhil committed Sep 24, 2023
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6. QM Level of Theory
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| Dataset | # Molecules | # Conformers | Ratio | Labels | QM Level |
We provide support for the following publicly available QM Datasets.

| Dataset | # Molecules | # Conformers | Average Conformers per Molecule | Labels | QM Level of Theory |
| --- | --- | --- | --- | --- | --- |
| [GEOM](https://www.nature.com/articles/s41597-022-01288-4) | 450,000 | 37,000,000 | 82 | energy | GFN2-xTB |
| [Molecule3D](https://arxiv.org/abs/2110.01717) | 3,899,647 | 3,899,647 | 1 | energy | B3LYP/6-31G* |
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