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CAPSIF:Graph

PREDICTION:

  • For a directory
>> python predict_directory.py [pdb_directory: default '../sample_dir' ][model_directory: default './models_DL/cb_model.pth.tar']

REPRODUCTION OF RESULTS

DATASET PREPARATION:

You do not need this step for testing. Go to the training step directly

  1. Preprocess the pdbs into the graph readable format:
>> ./preprocess.py

TRAINING:

First set the model_root_directory in settings.py. This path show the parent directory for CAPSIF codes.

  1. Train the model
>> ./train.py

Outputs the best model into "model_DL/capsif_g_model.pth.tar"

TESTING:

  1. Test the model on the test dataset from the paper
>> ./predict_on_testset.py

Outputs the Dice score and all TP/FP/FN/TN values