Derify/augmented_canonical_druglike_QED_Pfizer_15m
Druglike QED Pfizer 15M - Augmented SMILES Dataset This dataset is derived from the Druglike molecule datasets for drug discovery dataset and has been canonicalized using RDKit (2024.9.4) to ensure structural consistency. To enhance molecular diversity, 33% of the dataset was randomly sampled and augmented using RDKit’s Chem.MolToRandomSmilesVect function, following an approach similar to NVIDIA's molmim method for SMILES augmentation. Dataset Overview: Source:… See the full description on the dataset page: https://huggingface.co/datasets/Derify/augmented_canonical_druglike_QED_Pfizer_15m.
Conversations for this repository live on Hugging Face.
CoolFace shows imported repositories read-only. Posting into someone else’s repository from here would need an authorised integration and the account holder’s consent, so the link goes to the source instead.
Open discussions on Hugging Face