You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Follow-up on #84: There should be a single source of truth for cookbook input files (SDFs, PDBs, etc.) instead of having a copy in, e.g., the OpenFE test suite, with a duplicate stored here.
We could then make the first line of each notebook be ! openfe fetch cookbook-files — this could be either a fetchable per-notebook or a single fetchable to download all cookbook notebooks.
This would have the advantage that even a download of a single notebook would be self-contained, instead of requiring users to download a tarball/clone of the repo.
Steps to make this happen:
Create the fetchables in the OpenFE CLI. See fetchables.py for examples
Cut a release of OpenFE, update ExampleNotebooks to use that OpenFE version.
Update the cookbook notebooks here to download the required files.
The text was updated successfully, but these errors were encountered:
Follow-up on #84: There should be a single source of truth for cookbook input files (SDFs, PDBs, etc.) instead of having a copy in, e.g., the OpenFE test suite, with a duplicate stored here.
We could then make the first line of each notebook be
! openfe fetch cookbook-files
— this could be either a fetchable per-notebook or a single fetchable to download all cookbook notebooks.This would have the advantage that even a download of a single notebook would be self-contained, instead of requiring users to download a tarball/clone of the repo.
Steps to make this happen:
The text was updated successfully, but these errors were encountered: