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kliment-olechnovic / ftdmp

FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.
https://kliment-olechnovic.github.io/ftdmp/
MIT License
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colab for folding multimers? #1

Open avilella opened 1 year ago

avilella commented 1 year ago

Hi,

I am interested in using ftdmp to see if it improves the predictions of antibody vs antigen pairs I have attempted so far with Alphafold2-multimer and Unifold. Is there or could there be a Colab for ftdmp similar to the ones @sokrypton compiles in https://github.com/sokrypton/ColabFold? Thanks in advance.

kliment-olechnovic commented 1 year ago

Hi,

There is no Colab for FTDMP, sorry. There are no plans to do it right now, but I will think about it - thanks for the idea!

Meanwhile, I think, the most useful use case of applying FTDMP to antibody-antigen modeling, is to collect multiple models generated by AlphaFold, Unifold, RosettaFold, etc, and rank them using 'ftdmp-qa-all' (https://kliment-olechnovic.github.io/ftdmp/#using-ftdmp-for-scoring-and-ranking-multimeric-models) - it can be done locally and does not require much computational resources.

Cheers, Kliment