yairschiff/zinc250k
Dataset Card for "ZINC250k" ZINC250k from Irwin et al., 2005; taken from Jo et al., 2022. Data downloaded from: https://github.com/harryjo97/GDSS. Additional annotations (bond and ring counts) added using rdkit library. Quick start usage: from datasets import load_dataset ds = load_dataset("yairschiff/zinc250k") # Use `ds['train']['canonical_smiles']` from `rdkit` as inputs. Full processing steps import json import re import typing import… See the full description on the dataset page: https://huggingface.co/datasets/yairschiff/zinc250k.
| Author / organization | yairschiff |
|---|---|
| Downloads | 747 (as reported by Hugging Face) |
| Likes | 4 |
| Created | 26 August 2024 |
| Last updated at source | 19 November 2024 |
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747 now (-104 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.
Recent changes
- 17 Oct 2026 Description: Dataset Card for "ZINC250k" ZINC250k from Irwin et al., 2005; taken from Jo et al., 2022. Data downloaded from: https://github.com/harryjo97/GDSS. Additional annotations (bond and ring counts) added using rdkit library. Quick start usage: f → Dataset Card for "ZINC250k" ZINC250k from Irwin et al., 2005; taken from Jo et al., 2022. Data downloaded from: https://github.com/harryjo97/GDSS. Additional annotations (bond and ring counts) added using rdkit library. Quick start usage: f
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