sys path

src/complexes/atomic_complex.py

@@ -1,6 +1,9 @@
+import sys
 import jax
 import numpy as np
 from typing import List, Tuple
+
+sys.path.append(".")
 from src.complexes.building_blocks import Electron, Proton, Neutron
 from src.complexes.general_utils import GeneralComplexUtils
 

src/complexes/build_atom_lookup.py

@@ -1,8 +1,11 @@
 import os
+import sys
 import json
 import dill
 import numpy as np
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.atomic_complex import AtomComplex
 
 

src/complexes/polyatomic_complex.py

@@ -1,9 +1,12 @@
 import os
+import sys
 import dill
 import json
 import numpy as np
 import jax.numpy as jnp
 from typing import List, Tuple
+
+sys.path.append(".")
 from src.complexes.core_utils import GluingMap, ElectronField
 from src.complexes.building_blocks import Electron
 

src/complexes/process_esol.py

@@ -1,9 +1,12 @@
 import os
 import re
+import sys
 import dill
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.polyatomic_complex import PolyAtomComplex
 
 

src/complexes/process_freesolv.py

@@ -1,9 +1,12 @@
 import os
 import re
+import sys
 import dill
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.polyatomic_complex import PolyAtomComplex
 
 

src/complexes/process_lipophilicity.py

@@ -1,9 +1,12 @@
 import os
 import re
+import sys
 import dill
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.polyatomic_complex import PolyAtomComplex
 
 

src/complexes/process_materials_project.py

@@ -1,10 +1,13 @@
 import os
+import sys
 import dill
 import json
 import pandas as pd
 from typing import List
 from multiprocessing.pool import ThreadPool as Pool
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.polyatomic_complex import PolyAtomComplex
 
 

src/complexes/process_photoswitches.py

@@ -1,9 +1,12 @@
 import os
 import re
+import sys
 import dill
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
+
+sys.path.append(".")
 from src.complexes.polyatomic_complex import PolyAtomComplex