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steineggerlab / foldseek

Foldseek enables fast and sensitive comparisons of large structure sets.
https://foldseek.com
GNU General Public License v3.0
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Does (or will) Foldseek support other types of molecules? #163

Open amorehead opened 11 months ago

amorehead commented 11 months ago

Hello. Thank you for making this great tool open-source. Is support for other types of molecules besides proteins on the roadmap for FoldSeek's development?

milot-mirdita commented 11 months ago

Currently, we are not working on other molecule types.

We were thinking about RNA structures, however are unsure if there is sufficient training data at the moment. One thing that we are pursuing is some kind of discontinuous residue search.

demharters commented 1 month ago

hey @milot-mirdita, was there an update on this? Thinking about alignment of surface patches (discontinuous in sequence).

milot-mirdita commented 1 month ago

If you send me a PDB file with a some discontinuous residues we can run it with then current in development version and send back the result list. We'd be happy for feedback.

It's not quite ready for public release yet. Also, I don't know if it will work that well for surfaces.