graphs-datasets/AQSOL
Dataset Card for AQSOL Dataset Summary The AQSOL dataset comes "from the Benchmarking Graph Neural Networks paper based on AqSolDB, a standardized database of 9,982 molecular graphs with their aqueous solubility values, collected from 9 different data sources" (PyGeometric doc). Supported Tasks and Leaderboards AQSOL should be used for graph regression, on aqueous solubility. External Use PyGeometric To load in… See the full description on the dataset page: https://huggingface.co/datasets/graphs-datasets/AQSOL.
| Author / organization | graphs-datasets |
|---|---|
| License (as declared) | mit |
| Downloads | 415 (as reported by Hugging Face) |
| Likes | 0 |
| Created | 8 December 2022 |
| Last updated at source | 7 February 2023 |
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415 now (+14 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.
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- 16 Oct 2026 Description: Dataset Card for AQSOL Dataset Summary The AQSOL dataset comes "from the Benchmarking Graph Neural Networks paper based on AqSolDB, a standardized database of 9,982 molecular graphs with their aqueous solubility values, collected from 9 dif → Dataset Card for AQSOL Dataset Summary The AQSOL dataset comes "from the Benchmarking Graph Neural Networks paper based on AqSolDB, a standardized database of 9,982 molecular graphs with their aqueous solubility values, collected from 9 dif
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