MolSSI-Education's
repositories
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.devcontainer
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custom
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data
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00-python-basics.ipynb
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01_molecule_representation.ipynb
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02_rdkit_intro.ipynb
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03_python_data_science.ipynb
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04_sklearn_fitting.ipynb
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05-fitting-esol.ipynb
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06_chem_data_APIs.ipynb
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supplemental_PandasTools.ipynb
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table_of_contents.ipynb
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.gitignore
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LICENSE
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README.md
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codespaces.yml
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environment.yml
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