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Sonja Topf commited on
Commit
a7ac337
·
1 Parent(s): f0bc9a8

adjusted requirements file

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Files changed (3) hide show
  1. requirements.txt +5 -4
  2. utils/model.py +0 -1
  3. utils/preprocess.py +0 -1
requirements.txt CHANGED
@@ -1,9 +1,10 @@
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- fastapi
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- uvicorn[standard]
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  torch==2.3.0
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  torch-geometric==2.6.1
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  numpy==1.26.2
 
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  pandas==2.2.2
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- rdkit==2024.3.6
 
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  pydantic
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- typing-extensions
 
 
 
 
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  torch==2.3.0
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  torch-geometric==2.6.1
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  numpy==1.26.2
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+ python-dotenv
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  pandas==2.2.2
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+ scikit-learn==1.7.1
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+ fastapi
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  pydantic
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+ rdkit-pypi
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+ datasets
utils/model.py CHANGED
@@ -2,7 +2,6 @@ import torch
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  import torch.nn as nn
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  from torch_geometric.nn import GINConv, global_add_pool, global_mean_pool
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  import torch.nn.functional as F
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-
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  import numpy as np
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  import torch.nn as nn
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  from torch_geometric.nn import GINConv, global_add_pool, global_mean_pool
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  import torch.nn.functional as F
 
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  import numpy as np
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utils/preprocess.py CHANGED
@@ -1,7 +1,6 @@
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  import numpy as np
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  import torch
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  import pandas as pd
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-
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  from rdkit import Chem
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  from rdkit.Chem.MolStandardize import rdMolStandardize
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  from rdkit import Chem
 
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  import numpy as np
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  import torch
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  import pandas as pd
 
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  from rdkit import Chem
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  from rdkit.Chem.MolStandardize import rdMolStandardize
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  from rdkit import Chem