comparison test-data/Model_Parameter_JSON.json @ 0:0a0529822d91 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ms2deepscore commit 4bd610e0cbbcbed51a6bfb880179777fc8034fd6

0:0a0529822d91

{
    "base_dims": [
        20,
        20
    ],
    "embedding_dim": 15,
    "ionisation_mode": "negative",
    "train_binning_layer": false,
    "train_binning_layer_group_size": 20,
    "train_binning_layer_output_per_group": 2,
    "dropout_rate": 0.0,
    "learning_rate": 0.00025,
    "epochs": 2,
    "patience": 20,
    "loss_function": "mse",
    "weighting_factor": 0,
    "model_file_name": "ms2deepscore_model.pt",
    "history_plot_file_name": "history.svg",
    "time_stamp": "2024_08_16_07_50_22",
    "min_mz": 10,
    "max_mz": 1000,
    "mz_bin_width": 0.1,
    "intensity_scaling": 0.5,
    "additional_metadata": [],
    "batch_size": 2,
    "num_turns": 1,
    "shuffle": true,
    "use_fixed_set": false,
    "average_pairs_per_bin": 2,
    "max_pairs_per_bin": 100,
    "same_prob_bins": [
        [
            0.0,
            0.2
        ],
        [
            0.2,
            1.0
        ]
    ],
    "include_diagonal": true,
    "random_seed": 42,
    "fingerprint_type": "daylight",
    "fingerprint_nbits": 2048,
    "augment_removal_max": 0.2,
    "augment_removal_intensity": 0.2,
    "augment_intensity": 0.2,
    "augment_noise_max": 10,
    "augment_noise_intensity": 0.02
}