scikit-fingerprints/MoleculeNet_HIV
MoleculeNet HIV HIV dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict ability of molecules to inhibit HIV replication. Characteristic Description Tasks 1 Task type classification Total samples 41127 Recommended split scaffold Recommended metric AUROC Warning: in newer RDKit vesions, 7 molecules from the original dataset are not read correctly due to disallowed hypervalent… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_HIV.
| Author / organization | scikit-fingerprints |
|---|---|
| License (as declared) | unknown |
| Downloads | 2.4K (as reported by Hugging Face) |
| Likes | 0 |
| Created | 7 July 2024 |
| Last updated at source | 2 February 2025 |
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- 17 Oct 2026 Description: MoleculeNet HIV HIV dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict ability of molecules to inhibit HIV replication. Characteristic Description Tasks 1 Ta → MoleculeNet HIV HIV dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict ability of molecules to inhibit HIV replication. Characteristic Description Tasks 1 Ta
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