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