datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
PubChem10M_SELFIESPubChem10M dataset by DeepChem encoded to SELFIES using group-selfies.
PubChem_Drug_Instruction_TuningPubChem10M_SELFIES_TokenizedCustom cl100k tokenized version of PubChem10M_SELFIES.
pubchem
Dataset Card for "pubchem"
Labels are the number of hydrogen donors in the molecule, divided into categories.
Label 0-5: 0-5 H donors, repectively. Label 6: 6-10 H donors. Label 7: >10 H donors.
pubchem-mol-textpubchem
Copyright
The dataset derived from https://github.com/rolayoalarcon/MolE is licensed under the MIT license, Copyright (c) 2024 Roberto Olayo Alarcon. The model weights are licensed under Creative Commons Attribution 4.0 International, Copyright (c) 2024 Roberto Olayo Alarcon. The other code is licensed under the MIT license, Copyright (c) 2025 Maksim Pavlov.
PubChem_Desc_DrugChat