dauparas / LigandMPNN

MIT License
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Enable easy running outside of installation directory. #35

Open roccomoretti opened 2 months ago

roccomoretti commented 2 months ago

Currently the default checkpoint path specifications assumes that things are being run from within the installation directory. This make it hard to run the script from a different working directory.

These edits should keep the current behavior if the checkpoint specification is indeed a local/relative directory, but will fallback to the central install (script location) directory if the file is not present, allowing for running outside of the installation directory.