Searched defs:smiles_list (Results 1 – 3 of 3) sorted by relevance
| /dports/science/py-chainer-chemistry/chainer-chemistry-0.7.1/chainer_chemistry/dataset/parsers/ |
| H A D | smiles_parser.py | 26 def parse(self, smiles_list, return_smiles=False, target_index=None, argument
56 def extract_total_num(self, smiles_list): argument
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| /dports/science/py-chainer-chemistry/chainer-chemistry-0.7.1/chainer_chemistry/dataset/splitters/ |
| H A D | scaffold_splitter.py | 62 def train_valid_test_split(self, dataset, smiles_list, frac_train=0.8, argument
98 def train_valid_split(self, dataset, smiles_list, frac_train=0.9, argument
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| H A D | deepchem_scaffold_splitter.py | 67 def train_valid_test_split(self, dataset, smiles_list, frac_train=0.8, argument
103 def train_valid_split(self, dataset, smiles_list, frac_train=0.9, argument
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