Loading deepchem/models/tf_new_models/tests/test_vina_model.py +4 −0 Original line number Diff line number Diff line Loading @@ -182,6 +182,10 @@ class TestVinaModel(test_util.TensorFlowTestCase): def test_vina_generate_conformers(self): """Test that Vina Model can generate conformers""" data_dir = os.path.dirname(os.path.realpath(__file__)) protein_file = os.path.join(data_dir, "1jld_protein.pdb") ligand_file = os.path.join(data_dir, "1jld_ligand.pdb") max_protein_atoms = 3500 max_ligand_atoms = 100 Loading Loading
deepchem/models/tf_new_models/tests/test_vina_model.py +4 −0 Original line number Diff line number Diff line Loading @@ -182,6 +182,10 @@ class TestVinaModel(test_util.TensorFlowTestCase): def test_vina_generate_conformers(self): """Test that Vina Model can generate conformers""" data_dir = os.path.dirname(os.path.realpath(__file__)) protein_file = os.path.join(data_dir, "1jld_protein.pdb") ligand_file = os.path.join(data_dir, "1jld_ligand.pdb") max_protein_atoms = 3500 max_ligand_atoms = 100 Loading
