SELFIES
Datasets
All datasets matching “SELFIES”selfies-ids-cleanedPubChem-124M-SMILES-SELFIES-InChI-IUPAC
PubChem-124M-Canonicalized-SELFIES-InChI-IUPAC
Dataset Summary
This dataset contains ~124 million chemical structures sourced from PubChem (as of Jan 2026), processed into a clean, machine-learning-ready Parquet format.
Unlike raw XML/JSON dumps or standard CSVs, this dataset provides a unified, tabular structure that joins multiple chemical identifiers and descriptors into a single sharded resource:
SMILES: Raw and RDKit-Canonicalized.
SELFIES: Pre-computed 100% robust… See the full description on the dataset page: https://huggingface.co/datasets/hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC.tea-app-selfies
Tea app selfies
This dataset contains selfies from the Tea app breach. Tea was an app that only allowed women to join and required users to submit both a selfie and a photograph of their ID before allowing entry.
This repository contains only the selfie images. ID photographs were filtered out before upload.
Contents
The dataset consists of approximately 6.7k JPEG files named with UUID-style filenames.
Intended use
This dataset may be useful for research into… See the full description on the dataset page: https://huggingface.co/datasets/trentmkelly/tea-app-selfies.belka-selfies-idsbelka-selfies-train-cls-ftsmiles-selfies-pretrain