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google-deepmind / alphafold3

AlphaFold 3 inference pipeline.
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Typo in userCCD key in full example #99

Closed georgkempf closed 1 day ago

georgkempf commented 1 day ago

It seems the pipeline expects the json key "userCCD" https://github.com/google-deepmind/alphafold3/blob/1558f06eb3a38921015c815dde0580782caa54f2/src/alphafold3/common/folding_input.py#L676 but in the full example it's written "userCcd" https://github.com/google-deepmind/alphafold3/blob/1558f06eb3a38921015c815dde0580782caa54f2/docs/input.md?plain=1#L718 Using the wrong spelling raises: ValueError: Unexpected JSON keys in: userCcd

Augustin-Zidek commented 1 day ago

Thanks for noticing and reporting, this is indeed a bug in the documentation. The correct spelling is userCCD. Fix coming in a few minutes.

Augustin-Zidek commented 1 day ago

Fixed in https://github.com/google-deepmind/alphafold3/commit/eec6d72af603d26cdb22e7bc3f2011a4e7d16a0c.