Commit 887fd417 authored by ZHENQIN WU's avatar ZHENQIN WU
Browse files

minor changes

parent 0bcad71e

deepchem/molnet/check_availability.py

+2 −2
Original line number Diff line number Diff line
@@ -140,8 +140,8 @@ CheckFeaturizer = { 
    ('sampl', 'weave_regression'): ['Weave', 75],

    ('kaggle', 'tf_regression'): [None, 14293],

    ('kaggle', 'rf_regression'): [None, 14293],

    ('pdbbind', 'tf_regression'): ['ECFP', 1024],

    ('pdbbind', 'rf_regression'): ['ECFP', 1024],

    ('pdbbind', 'tf_regression'): ['grid', 2052],

    ('pdbbind', 'rf_regression'): ['grid', 2052],

    ('pdbbind', 'graphconvreg'): ['GraphConv', 75],

    ('qm7', 'tf_regression'): ['ECFP', 1024],

    ('qm7', 'rf_regression'): ['ECFP', 1024],

deepchem/molnet/preset_hyper_parameters.py

+2 −2
Original line number Diff line number Diff line
@@ -60,7 +60,7 @@ hps['graphconv'] = { 
}

hps['dag'] = {

    'batch_size': 64,

    'nb_epoch': 50,

    'nb_epoch': 100,

    'learning_rate': 0.001,

    'n_graph_feat': 30,

    'default_max_atoms': 60,
@@ -135,7 +135,7 @@ hps['dtnn'] = { 
}

hps['dag_regression'] = {

    'batch_size': 64,

    'nb_epoch': 50,

    'nb_epoch': 100,

    'learning_rate': 0.001,

    'n_graph_feat': 30,

    'default_max_atoms': 60,

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