Binary classification dataset for predicting cocrystal formation given two small molecules represented as SMILES.
For single‑sequence encoder models (e.g., BERT‑style), we provide smiles, which concatenates smiles_a and smiles_b with a period separator: smiles_a.smiles_b. For Bi-encoder and Cross‑encoder models, use the provided smiles_a and smiles_b fields directly.
smiles_a (string):… See the full description on the dataset page:
https://huggingface.co/datasets/Derify/cocrystal-classification.
