type=str,
choices=CHEMPROP_METRICS,
help=("Metric for which to evaluate "
"the model performance"),
default=None)
parser.add_argument("--train_folder",
type=str,
help=("Folder in which you will store the "
"ChemProp model."),
default=None)
parser.add_argument("--cp_folder",
type=str,
help=("Path to ChemProp folder."))
parser.add_argument("--max_hyp_specs",
type=int,
help=("Maximum number of species for hyperparameter "
"optimization"))
parser.add_argument("--seed",
type=int,
help=("Seed for sampling data for hyperparameter "
"optimization"))
parser.add_argument('--config_file',
type=str,
help=("Path to JSON file with arguments "
"for this script. If given, any "
"arguments in the file override the "
"command line arguments."))
args = parse_args(parser)
main(**args.__dict__)
"the model performance"),
default=None)
parser.add_argument("--train_feat_path", type=str,
help=("Path to features file for training set"),
default=None)
parser.add_argument("--val_feat_path", type=str,
help=("Path to features file for validation set"),
default=None)
parser.add_argument("--test_feat_path", type=str,
help=("Path to features file for test set"),
default=None)
parser.add_argument("--train_folder", type=str,
help=("Folder in which you will store the "
"ChemProp model."),
default=None)
parser.add_argument("--features_only", action='store_true',
help=("Train model with only the stored features"))
parser.add_argument("--cp_folder", type=str,
help=("Path to ChemProp folder."))
parser.add_argument("--no_features", action="store_true",
help=("Don't use external features when training "
"model."))
parser.add_argument('--this_config_file', type=str,
help=("Path to JSON file with arguments "
"for this script. If given, any "
"arguments in the file override the "
"command line arguments."))
args = parse_args(parser, config_flag="this_config_file")
main(**args.__dict__)
