Example Scripts for "Towards equilibrium molecular conformation generation with GFlowNets"?

[amelie-iska]

Thanks for the lovely work! Are there any example scripts for generating conformational ensembles for proteins similar to what is done in the paper Towards equilibrium molecular conformation generation with GFlowNets, which uses this repo. This would be very helpful to have. Perhaps there is another GitHub repo that does this?

[AlexandraVolokhova]

Hey Amelie! Thank you for your interest in our work! We moved the implementation of this paper to a separate repo, you can find it here: https://github.com/GFNOrg/conf-gfn