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Make posebench pip package compatible with Python 3.7 and up
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amorehead committed Aug 13, 2024
1 parent 83c9628 commit d2da9c8
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -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',
Expand All @@ -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",
Expand All @@ -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
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