protein-ligand-benchmark icon indicating copy to clipboard operation
protein-ligand-benchmark copied to clipboard

conda-forge installable package

Open ijpulidos opened this issue 3 years ago • 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.

ijpulidos avatar Sep 25 '21 16:09 ijpulidos

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.

IAlibay avatar Apr 13 '22 15:04 IAlibay

I think this is probably stuck on requiring #18 first

richardjgowers avatar Apr 20 '22 11:04 richardjgowers