Loading deepchem/splits/splitters.py +61 −35 Original line number Diff line number Diff line Loading @@ -995,6 +995,32 @@ class SpecifiedSplitter(Splitter): return train_inds, valid_inds, test_inds class SpecifiedIndexSplitter(Splitter): """ Class that splits data according to user index specification """ def __init__(self, train_inds, valid_inds, test_inds, verbose=False): """Provide input information for splits.""" self.train_inds = train_inds self.valid_inds = valid_inds self.test_inds = test_inds self.verbose = verbose super(SpecifiedIndexSplitter, self).__init__(verbose) def split(self, dataset, frac_train=.8, frac_valid=.1, frac_test=.1, log_every_n=1000, verbose=False): """ Splits internal compounds into train/validation/test by user-specification. """ return self.train_inds, self.valid_inds, self.test_inds class TimeSplitterPDBbind(Splitter): def __init__(self, ids, year_file=None, verbose=False): Loading Loading
deepchem/splits/splitters.py +61 −35 Original line number Diff line number Diff line Loading @@ -995,6 +995,32 @@ class SpecifiedSplitter(Splitter): return train_inds, valid_inds, test_inds class SpecifiedIndexSplitter(Splitter): """ Class that splits data according to user index specification """ def __init__(self, train_inds, valid_inds, test_inds, verbose=False): """Provide input information for splits.""" self.train_inds = train_inds self.valid_inds = valid_inds self.test_inds = test_inds self.verbose = verbose super(SpecifiedIndexSplitter, self).__init__(verbose) def split(self, dataset, frac_train=.8, frac_valid=.1, frac_test=.1, log_every_n=1000, verbose=False): """ Splits internal compounds into train/validation/test by user-specification. """ return self.train_inds, self.valid_inds, self.test_inds class TimeSplitterPDBbind(Splitter): def __init__(self, ids, year_file=None, verbose=False): Loading
