@@ -6,7 +6,7 @@ authors = [
66 { name = " Alex Morehead" , email = " acmwhb@umsystem.edu" }
77]
88readme = " README.md"
9- requires-python = " >= 3.10 "
9+ requires-python = " >= 3.7 "
1010license = { file = " LICENSE" }
1111keywords = [
1212 ' artificial intelligence' ,
@@ -32,10 +32,10 @@ classifiers=[
3232
3333dependencies = [
3434 # --------- pytorch --------- #
35- " lightning>=2.1.3 " ,
36- " torch>=2.3.0 " ,
37- " torchmetrics>=1.2.0 " ,
38- " torchvision>=0.18.0 " ,
35+ " lightning" ,
36+ " torch" ,
37+ " torchmetrics" ,
38+ " torchvision" ,
3939
4040 # --------- hydra --------- #
4141 " hydra-core==1.3.2" ,
@@ -50,21 +50,21 @@ dependencies = [
5050 " biopandas" , # for biological dataframe parsing
5151 " biopython==1.79" , # for biological data parsing
5252 " ipykernel" , # for running Jupyter notebooks
53- " jaxtyping>=0.2.21 " , # tensor type checking
53+ " jaxtyping>=0.2.12 " , # tensor type checking
5454 " joblib" , # for parallel processing
5555 " lovely-numpy" , # for fancy numpy debugging
5656 " lovely-tensors" , # for fancy pytorch debugging
5757 " meeko" , # for molecular docking preparation
5858 " numpy" , # for numerical operations
59- " pandas>=1.5.0 " , # for data parsing and analysis
59+ " pandas>=1.3.5 " , # for data parsing and analysis
6060 " plotly" , # for plotting
6161 " pre-commit" , # hooks for applying linters on commit
6262 " prody" , # for protein data parsing
6363 " prolif" , # for protein-ligand data parsing
64- " rdkit>=2023.3.3 " , # for parsing small molecule data files
64+ " rdkit>=2023.3.2 " , # for parsing small molecule data files
6565 " rich" , # beautiful text formatting in terminal
6666 " rootutils" , # standardizing the project root setup
67- " scikit-learn>=1.1 .2" , # for basic machine learning utilities
67+ " scikit-learn>=1.0 .2" , # for basic machine learning utilities
6868 " seaborn" , # for plotting
6969 " setuptools" , # for packaging
7070 " spyrmsd" , # for RMSD calculations
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