docling-project/MolGrapher-Synthetic-300K

MolGrapher-Synthetic-300K MolGrapher-Synthetic-300K is the synthetic dataset introduced in MolGrapher: Graph-based Visual Recognition of Chemical Structures. Our dataset is created using molecule SMILES retrieved from the database PubChem. Training images are then generated from SMILES using the molecule drawing library RDKit. The synthetic training set is augmented at multiple levels: Molecule level: Molecules are randomly transformed by: (1) displaying explicit hydrogens, (2)… See the full description on the dataset page: https://huggingface.co/datasets/docling-project/MolGrapher-Synthetic-300K.