Download Raw and Preprocessed Input Data

./download_data.sh

Build the Environment (Mamba Recomended)

./build_environment.sh

Example Training

cd ./scripts/ms2deepscore/train/fresh_dataset/
./train_all_pairs.sh

Example Testing and Evaluation

Performs inference, and runs evaluations script over predictions.

Please note that this script has an n_jobs parameters to modulate memory and cpu usage.

cd scripts/ms2deepscore/test/fresh_dataset/ 
./example.sh