MolBERT
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Switch finetune and smiles app to use entrypoints
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This PR does the following:
- Encompasses the contents of
if __name__ == '__main__': ...in bothmolbert.apps.smilesandmolbert.apps.finetunein respectivemain()functions - Introduces python entrypoints in the
setup.pyso thesmilesandfinetunescripts get vanity commands in the shell upon pip install. Respectively, they aremolbert_smilesandmolbert_finetune. This makes it easier to write reproducible scripts that don't rely on the installation to be in a certain place - Update the README to reflect the changes in best way to run these apps