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Fixed link and details for test suits in README.md, fixes #124
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MarioKrenn6240 authored Dec 31, 2024
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Expand Up @@ -222,10 +222,9 @@ By default, `selfies` is tested against a random subset
* 250K molecules from [ZINC](https://en.wikipedia.org/wiki/ZINC_database)
* 50K molecules from a dataset of [non-fullerene acceptors for organic solar cells](https://www.sciencedirect.com/science/article/pii/S2542435117301307)
* 160K+ molecules from various [MoleculeNet](https://moleculenet.org/datasets-1) datasets
* 36M+ molecules from the [eMolecules Database](https://www.emolecules.com/info/products-data-downloads.html).
Due to its large size, this dataset is not included on the repository. To run tests
on it, please download the dataset into the ``tests/test_sets`` directory
and run the ``tests/run_on_large_dataset.py`` script.

In first releases, we also tested the 36M+ molecules from the [eMolecules Database](https://downloads.emolecules.com/free/2024-12-01/).


## Version History
See [CHANGELOG](https://github.com/aspuru-guzik-group/selfies/blob/master/CHANGELOG.md).
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