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russbates avatar russbates commented on June 11, 2024

Hi,
Your interpretation of the output is almost correct, however these are raw logits rather than probabilities. If you would like to interpret these as probabilities you should apply a softmax in the final dimension, e.g. jax.nn.softmax(logits, axis=-1) . The intervals are half-open (open on the left) and the bin edges represent the interval boundaries (hence n-1 bin edges).
The code for mapping from raw distances to distogram bins can be found here:
https://github.com/deepmind/alphafold/blob/main/alphafold/model/modules.py#L1387-L1396

We will also try and update the README to make this clearer for future users, thanks!

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FilomenoSanchez avatar FilomenoSanchez commented on June 11, 2024

Excellent, thanks!

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