update BaseDataset import path

src/openqdc/datasets/potential/comp6.py

@@ -1,6 +1,6 @@
 from os.path import join as p_join
 
-from openqdc.datasets.base import BaseDataset, read_qc_archive_h5
+from openqdc.datasets.potential.base import BaseDataset, read_qc_archive_h5
 
 
 class COMP6(BaseDataset):

src/openqdc/datasets/potential/dummy.py

@@ -2,7 +2,7 @@
 from numpy import array
 from sklearn.utils import Bunch
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.atomization_energies import IsolatedAtomEnergyFactory
 from openqdc.utils.constants import NOT_DEFINED
 

src/openqdc/datasets/potential/gdml.py

@@ -1,6 +1,6 @@
 from os.path import join as p_join
 
-from openqdc.datasets.base import BaseDataset, read_qc_archive_h5
+from openqdc.datasets.potential.base import BaseDataset, read_qc_archive_h5
 
 
 class GDML(BaseDataset):

src/openqdc/datasets/potential/geom.py

@@ -4,7 +4,7 @@
 import datamol as dm
 import numpy as np
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils import load_json, load_pkl
 from openqdc.utils.molecule import get_atomic_number_and_charge
 

src/openqdc/datasets/potential/iso_17.py

@@ -1,6 +1,6 @@
 from os.path import join as p_join
 
-from openqdc.datasets.base import BaseDataset, read_qc_archive_h5
+from openqdc.datasets.potential.base import BaseDataset, read_qc_archive_h5
 
 
 class ISO17(BaseDataset):

src/openqdc/datasets/potential/molecule3d.py

@@ -8,7 +8,7 @@
 from rdkit import Chem
 from tqdm import tqdm
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.molecule import get_atomic_number_and_charge
 
 

src/openqdc/datasets/potential/nabladft.py

@@ -6,7 +6,7 @@
 import numpy as np
 import pandas as pd
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.molecule import z_to_formula
 from openqdc.utils.package_utils import requires_package
 

src/openqdc/datasets/potential/orbnet_denali.py

@@ -5,7 +5,7 @@
 import numpy as np
 import pandas as pd
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.molecule import atom_table
 
 

src/openqdc/datasets/potential/pcqm.py

@@ -10,7 +10,7 @@
 import pandas as pd
 from loguru import logger
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.io import get_local_cache, push_remote
 
 

src/openqdc/datasets/potential/qm7x.py

@@ -3,7 +3,7 @@
 import numpy as np
 from tqdm import tqdm
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.io import load_hdf5_file
 
 

src/openqdc/datasets/potential/qmugs.py

@@ -5,7 +5,7 @@
 import datamol as dm
 import numpy as np
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.molecule import get_atomic_number_and_charge
 
 

src/openqdc/datasets/potential/sn2_rxn.py

@@ -1,6 +1,6 @@
 from os.path import join as p_join
 
-from openqdc.datasets.base import BaseDataset, read_qc_archive_h5
+from openqdc.datasets.potential.base import BaseDataset, read_qc_archive_h5
 
 
 class SN2RXN(BaseDataset):

src/openqdc/datasets/potential/solvated_peptides.py

@@ -1,6 +1,6 @@
 from os.path import join as p_join
 
-from openqdc.datasets.base import BaseDataset, read_qc_archive_h5
+from openqdc.datasets.potential.base import BaseDataset, read_qc_archive_h5
 
 
 class SolvatedPeptides(BaseDataset):

src/openqdc/datasets/potential/spice.py

@@ -4,7 +4,7 @@
 import numpy as np
 from tqdm import tqdm
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils import load_hdf5_file
 from openqdc.utils.molecule import get_atomic_number_and_charge
 

src/openqdc/datasets/potential/transition1x.py

@@ -3,7 +3,7 @@
 import numpy as np
 from tqdm import tqdm
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.constants import NB_ATOMIC_FEATURES
 from openqdc.utils.io import load_hdf5_file
 

src/openqdc/datasets/potential/waterclusters3_30.py

@@ -4,7 +4,7 @@
 import numpy as np
 from tqdm import tqdm
 
-from openqdc.datasets.base import BaseDataset
+from openqdc.datasets.potential.base import BaseDataset
 from openqdc.utils.constants import MAX_ATOMIC_NUMBER
 from openqdc.utils.molecule import atom_table