MolBERT
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Switch finetune and smiles app to use entrypoints
This PR does the following:
- Encompasses the contents of
if __name__ == '__main__': ...
in bothmolbert.apps.smiles
andmolbert.apps.finetune
in respectivemain()
functions - Introduces python entrypoints in the
setup.py
so thesmiles
andfinetune
scripts get vanity commands in the shell upon pip install. Respectively, they aremolbert_smiles
andmolbert_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