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MolClassifier

Installation Instructions

  • Ensure your distribution has the Python version 3.11:

    python3 --version
    pip3 -V
    
  • Install poetry

    pip install poetry
    
  • Install the dependencies

    poetry install
    

Download the model

wget https://huggingface.co/ds4sd/MolClassifier/resolve/main/models/molclassifier_model.chpt -P ./data/models/

Running the model

  • Place the images to annotate in ./data/dataset/

  • Run the model

    poetry run python ./mol_classifier/classifier.py infer --dir ./data/dataset/ --checkpoint ./data/models/molclassifier_model.chpt --output ./data/output.txt
    
  • Read predictions in ./data/output.txt