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Chemical Structure Recognition

Convert chemical structure diagrams into machine-readable molecular representations for search and analysis.

2 resources

DECIMER

Model

DECIMER converts chemical structure images into predicted SMILES using EfficientNet-V2 and a transformer, with a Python prediction interface and a separately described hand-drawn model.

Open sourcePython

Chemical Structure Recognition

Updated

MolScribe

Model

MolScribe is an image-to-graph model for converting molecular diagrams into chemical structures, with SMILES and molfile output plus optional atom, bond and confidence information.

Open sourcePython

Chemical Structure Recognition

Updated