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docs/source/acknowledgements.rst

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docs/source/available_methods.rst

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Have a new method to add? Please let us know by creating a pull request. We would be happy to work with you to integrate new methodology into this benchmark!

docs/source/bonus.rst

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.. image:: ./_static/WorkBench.jpeg
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:alt: My brain after building PoseBench

docs/source/citing_this_work.rst

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docs/source/comparative_plots.rst

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docs/source/data_preparation.rst

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The preprocessed Astex Diverse, PoseBusters Benchmark, DockGen, and CASP15 data (available via Zenodo at https://doi.org/10.5281/zenodo.14629652) provide pre-holo-aligned protein structures predicted by AlphaFold 3 (and alternatively MIT-licensed ESMFold) for these respective datasets. Accordingly, users must ensure their usage of such predicted protein structures from AlphaFold 3 aligns with AlphaFold 3's Terms of Use at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.

docs/source/ensemble_inference.rst

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In addition to having `consensus` as an available value for `ensemble_ranking_method`, one can also set `ensemble_ranking_method=ff` to have the method ensemble's top-ranked predictions selected using the criterion of "minimum (molecular dynamics) force field energy" (albeit while incurring a very large runtime complexity).

docs/source/for_developers.rst

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docs/source/method_inference.rst

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docs/source/sweep_inference.rst

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See the config file `configs/scripts/build_inference_script.yaml` for more details.

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