openforcefield/protein-ligand-benchmark

conda-forge installable package

Opened this issue · 2 comments

Are there any plans on making a conda-installable package at conda-forge for this project? I think other projects using it will benefit from a conda-forge package.

Related to this - in yesterday's F@H alchemy call @jchodera mentioned the potential need for folks like Perses to be able to grab the data from this repo for their benchmarks in a simple programmatic manner. Having a conda-forge package may not be the full solution here, but having something packaged up in a manner like https://www.mdanalysis.org/MDAnalysisData/ might be useful.

I think this is probably stuck on requiring #18 first