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alexhernandezgarcia / gflownet

Generative Flow Networks - GFlowNet
https://gflownet.readthedocs.io/en/latest/
Apache License 2.0
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Example Scripts for "Towards equilibrium molecular conformation generation with GFlowNets"? #295

Open amelie-iska opened 9 months ago

amelie-iska commented 9 months ago

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 commented 8 months ago

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