RobustRDP-RawTrainData

Raw training data for the paper: RobustRDP: Advancing Reaction Diagram Parsing via Synthetic-to-Real Data Scaling and Robustness-Oriented Training.

Dataset Structure

raw_train_data/
├── images_train.zip          # Zipped training images (4,240 images)
└── labels_train.zip          # Zipped training labels (4,240 JSON files)

Data Composition

The dataset contains a total of 4,240 reaction diagram images and their corresponding annotations:

Source	Images	Description
RxnLabel	3,000	Manually annotated reaction diagrams using the RxnLabel annotation platform
RxnScribe	1,240	Reaction diagrams from the RxnScribe dataset

Data Format

Images (images_train/)

PNG images of reaction diagrams extracted from chemistry literature.

Labels (labels_train/)

Each image has a corresponding JSON label file containing the parsed reaction annotations with special tokens:

• <rxn>: Start of a reaction
• <rct>: Reactants section
• <cnd>: Conditions section
• <prd>: Products section
• <mol>: Molecule entity
• <txt>: Text entity

Data Generation

• RxnLabel (3,000 images): Manually annotated using RxnLabel, a web-based reaction diagram annotation platform.
• RxnScribe (1,240 images): Sourced from the RxnScribe dataset of reaction diagrams from chemistry publications.

Related Resources

• Model: RobustRDP
• Processed Data: RobustRDP-ProcessedTrainData
• Code: RobustRDP GitHub
• Annotation Platform: RxnLabel