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This project forked from vasa90/retention_time_cnn
Run main.py to train a neural network and to predict retention times for a test set. Run with: python main.py --test_file=test.txt --train_file=train.txt optional inputs: --max_len - setting the number of columns of the matrices and the maximum peptide length that the model can handle. --input_type - 'branched' or 'unbranched' network Files for training and test set (--test_file=, --train_file=) need to have the following format without header: DRGNMSNTEYRK 42.3 VVVTEGSLDGPVILEQK 197.7 SPLDGSFDTSNLK 167.2 VDATPEESK 42.1 The neural network models are found in nn_model.py.
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