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README.md

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Documentation is available at [https://posebusters.readthedocs.io](https://posebusters.readthedocs.io).
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For more information about the tests and for a study using PoseBusters to compare docking methods, refer to our [paper](https://pubs.rsc.org/en/content/articlelanding/2024/sc/d3sc04185a) or [preprint](https://arxiv.org/abs/2308.05777):
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For more information about the tests and for a study using PoseBusters to compare docking methods, refer to our [paper](http://dx.doi.org/10.1039/D3SC04185A) or [preprint](https://arxiv.org/abs/2308.05777):
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```
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@article{buttenschoen2023posebusters,
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@article{buttenschoen2024posebusters,
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title = {{{PoseBusters}}: {{AI-based}} Docking Methods Fail to Generate Physically Valid Poses or Generalise to Novel Sequences},
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shorttitle = {{{PoseBusters}}},
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author = {Buttenschoen, Martin and Morris, Garrett M. and Deane, Charlotte M.},
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year = "2023",
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year = "2024",
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journal = "Chemical Science",
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volume = "15",
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issue = "9",
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pages = "3130-3139",
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publisher = "The Royal Society of Chemistry",
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doi = "10.1039/D3SC04185A",
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url = "http://dx.doi.org/10.1039/D3SC04185A",

docs/source/checks.rst

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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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.. _preprint: https://arxiv.org/abs/2308.05777
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.. _paper: https://doi.org/10.1039/D3SC04185A
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For more detailed information about the tests and for a study using PoseBusters to compare docking methods, refer to our `preprint`_:
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For more detailed information about the tests and for a study using PoseBusters to compare docking methods, refer to our `preprint`_ or `paper`_:
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.. code-block:: bibtex
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@online{buttenschoen2023posebusters,
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title = {{{PoseBusters}}: {{AI-based}} Docking Methods Fail to Generate Physically Valid Poses or Generalise to Novel Sequences},
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shorttitle = {{{PoseBusters}}},
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author = {Buttenschoen, Martin and Morris, Garrett M. and Deane, Charlotte M.},
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date = {2023-08-10},
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eprint = {2308.05777},
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eprinttype = {arxiv}
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@article{buttenschoen2024posebusters,
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title = {{{PoseBusters}}: {{AI-based}} Docking Methods Fail to Generate Physically Valid Poses or Generalise to Novel Sequences},
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shorttitle = {{{PoseBusters}}},
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author = {Buttenschoen, Martin and Morris, Garrett M. and Deane, Charlotte M.},
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year = "2024",
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journal = "Chemical Science",
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volume = "15",
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issue = "9",
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pages = "3130-3139",
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publisher = "The Royal Society of Chemistry",
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doi = "10.1039/D3SC04185A",
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url = "http://dx.doi.org/10.1039/D3SC04185A",
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}

docs/source/index.rst

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.. _preprint: https://arxiv.org/abs/2308.05777
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.. _paper: https://doi.org/10.1039/D3SC04185A
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For more detailed information about the tests and for a study using PoseBusters to compare docking methods, refer to our `paper`_:
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For more detailed information about the tests and for a study using PoseBusters to compare docking methods, refer to our `preprint`_ or `paper`_:
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.. code-block:: bibtex
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@article{buttenschoen2023posebusters,
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@article{buttenschoen2024posebusters,
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title = {{{PoseBusters}}: {{AI-based}} Docking Methods Fail to Generate Physically Valid Poses or Generalise to Novel Sequences},
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shorttitle = {{{PoseBusters}}},
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author = {Buttenschoen, Martin and Morris, Garrett M. and Deane, Charlotte M.},
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year = "2023",
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year = "2024",
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journal = "Chemical Science",
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volume = "15",
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issue = "9",
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pages = "3130-3139",
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publisher = "The Royal Society of Chemistry",
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doi = "10.1039/D3SC04185A",
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url = "http://dx.doi.org/10.1039/D3SC04185A",

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