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AlphaFold 3 TCRgen structure prediction. Modified TCRdock pipeline for generated CDR3β sequences + RMSD (and other evaluations)

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TCRgen structure modelling

AlphaFold 3 recommended

Follow installation on DeepMind's github here to set up genetic databases.
After, follow setup notebook in alphafold3/ to create input JSONs.
Needlemen script can be found in here to align generated sequences to ground truth TCR structures.
RMSD and interface analysis scripts can also be found here.

TCRDock

More documentation here

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AlphaFold 3 TCRgen structure prediction. Modified TCRdock pipeline for generated CDR3β sequences + RMSD (and other evaluations)

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