Actifptm implemented in AF3#29
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September 7, 2025 17:18
hdieckhaus
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Sep 8, 2025
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Hi @gezmi ,
Thanks for the PR! I would be happy to add these features into our code.
Everything looks good on my end, except one of the AF3 CI unit tests is now failing (see the "Checks" tab for details). It looks like the reference file test_data/model_config.json needs to get updated to include the return_distogram=False config option.
If you have a chance to add this, that would be great. Otherwise, I can try to add it myself to get the CI to pass.
Add missing newline at the end of model_config.json
Trim whitespace from the contents read from golden and result files.
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Thanks! I modified it, now it passess the checks. I needed to slightly modify the test script, as somewhere a new line was added, making it not pass the test. I am just stripping all whitespaces both from the generated and the "golden" file. |
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I have added actifptm calculation into the code, together with returning it into the appropiate output.
Also, returning distogram is now integrated, from DeepMind's code