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Update pyproject.toml
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pyproject.toml

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

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