diff --git a/pyproject.toml b/pyproject.toml index ec77200..b26fa57 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,7 +6,7 @@ authors = [ { name = "Alex Morehead", email = "acmwhb@umsystem.edu" } ] readme = "README.md" -requires-python = ">= 3.10" +requires-python = ">= 3.7" license = { file = "LICENSE" } keywords = [ 'artificial intelligence', @@ -32,10 +32,10 @@ classifiers=[ dependencies = [ # --------- pytorch --------- # - "lightning>=2.1.3", - "torch>=2.3.0", - "torchmetrics>=1.2.0", - "torchvision>=0.18.0", + "lightning", + "torch", + "torchmetrics", + "torchvision", # --------- hydra --------- # "hydra-core==1.3.2", @@ -50,21 +50,21 @@ dependencies = [ "biopandas", # for biological dataframe parsing "biopython==1.79", # for biological data parsing "ipykernel", # for running Jupyter notebooks - "jaxtyping>=0.2.21", # tensor type checking + "jaxtyping>=0.2.12", # tensor type checking "joblib", # for parallel processing "lovely-numpy", # for fancy numpy debugging "lovely-tensors", # for fancy pytorch debugging "meeko", # for molecular docking preparation "numpy", # for numerical operations - "pandas>=1.5.0", # for data parsing and analysis + "pandas>=1.3.5", # for data parsing and analysis "plotly", # for plotting "pre-commit", # hooks for applying linters on commit "prody", # for protein data parsing "prolif", # for protein-ligand data parsing - "rdkit>=2023.3.3", # for parsing small molecule data files + "rdkit>=2023.3.2", # for parsing small molecule data files "rich", # beautiful text formatting in terminal "rootutils", # standardizing the project root setup - "scikit-learn>=1.1.2", # for basic machine learning utilities + "scikit-learn>=1.0.2", # for basic machine learning utilities "seaborn", # for plotting "setuptools", # for packaging "spyrmsd", # for RMSD calculations