n_tasks = 1
data_points = 10
mols = ["CCCCCCCC"] * data_points
X = featurizer(mols)
y = np.random.randint(0, 2, size=(data_points, n_tasks))
After Change
// TODO: This test is a little awkward. The Smiles2Vec model awkwardly depends on a dataset_file being available on disk. This needs to be cleaned up to match the standard model handling API.
def test_smiles2vec_reload():
Test that smiles2vec models can be saved and reloaded.
dataset_file = os.path.join(os.path.dirname(__file__), "chembl_25_small.csv")
max_len = 250
pad_len = 10
max_seq_len = 20
char_to_idx = create_char_to_idx(