Merge branch 'dev' of github.com:bioinf-jku/FCD into dev

bioinf-jku · Apr 1, 2024 · c4cac20 · c4cac20
2 parents 16fc6c3 + bccfa01
commit c4cac20
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/fcd/fcd.py b/fcd/fcd.py
@@ -50,7 +50,7 @@ def get_predictions(
     smiles_list: List[str],
     batch_size: int = 128,
     n_jobs: int = 1,
-    device: str | None = None,
+    device: Optional[str] = None,
 ) -> np.ndarray:
     """Calculate Chemnet activations
 
@@ -81,7 +81,7 @@ def get_predictions(
     return np.row_stack(chemnet_activations)
 
 
-def get_fcd(smiles1: List[str], smiles2: List[str], model: nn.Module | None = None, device=None) -> float:
+def get_fcd(smiles1: List[str], smiles2: List[str], model: Optional[nn.Module] = None, device=None) -> float:
     """Calculate FCD between two sets of Smiles
 
     Args:

diff --git a/fcd/utils.py b/fcd/utils.py
@@ -2,7 +2,7 @@
 import warnings
 from contextlib import contextmanager
 from multiprocessing import Pool
-from typing import List
+from typing import List, Optional
 
 import numpy as np
 import torch
@@ -43,7 +43,7 @@ def tokenize(smiles: str) -> List[str]:
     return tok_smile
 
 
-def get_one_hot(smiles: str, pad_len: int | None = None) -> np.ndarray:
+def get_one_hot(smiles: str, pad_len: Optional[int] = None) -> np.ndarray:
     """Generate one-hot representation of a Smiles string.
 
     Args: