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Readthedocs#227

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rwxayheee merged 63 commits intodevelopforlilab/Meeko:developfrom readthedocsforlilab/Meeko:readthedocsCopy head branch name to clipboardNov 7, 2024

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Commits on Sep 25, 2024

• initial readthedocs

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• add .readthedocs.yaml

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• move some stuff from README to docs

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• add docs badge to README

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Commits on Sep 26, 2024

• improve home page of docs

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Commits on Sep 27, 2024

• new raccoon pic

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• add github button

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• add Python 3.12 installation instructions

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• docs for mk_prepare_receptor --write flags

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Commits on Oct 11, 2024

• wip intro rec prep DOCS

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Commits on Oct 12, 2024

• (WIP) add colab examples pages; update index doc; update gitignore

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• adjust subtitles and small fixes

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• drop ad4sdf example

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Commits on Oct 16, 2024

• docs note exported Hs positions set by RDKit

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Commits on Oct 17, 2024

• docs for polymer template smiles

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Commits on Oct 30, 2024

• (WIP) add py_build_temp to doc

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• (WIP) add introduction in py_build_temp

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• add internal ref

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• fix ref tag?

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• (WIP) insert pic

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• fix pic name

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• add ref tag for _py_build_temp

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• fix pic

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• completed py_build_temp

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• fix img

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• include warning in expected output

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Commits on Oct 31, 2024

• remove covalent docking Colab example

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Commits on Nov 3, 2024

• (tutorial WIP) add toctree to tutorial.rst

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• change tutorials to tutorial in index.rst

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• change maxdepth to 3 for getting started

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• (WIP) TOC, introduction and prerequisites for tutorial2.rst

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• (WIP) tutorial2

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• (WIP) tutorial2, code block

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• use python highlitighting for heredoc

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• add level4 heading for 1.2.3. in Prerequisites

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• add level4 heading for 1.2.3. in Prerequisites 2

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• (WIP) insert pic to tutorial2

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• (WIP) done ligand preparation

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• (WIP) done receptor preparation

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• finish editing tutorial2

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• (WIP) tutorial3

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• complete tutorial3

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• remove files generated from test

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Commits on Nov 5, 2024

• fix ref tags in tutorial2 and 3

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• (WIP) make TOC and ref tags in tutorial1

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• (WIP) Ligand Preparation in tutorial1

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Commits on Nov 6, 2024

• minor edits to docs

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• (WIP) receptor preparation in tutorial1

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• Merge branch 'readthedocs' of https://github.com/forlilab/Meeko into readthedocs

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• (WIP) Export Poses in tutorial1

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• remove headings for virtual screening

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• mention Ringtail at the end of tutorial1

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• small fixes and formatting

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• add export from flexible docking

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• add docs ligand prep overview

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Commits on Nov 7, 2024

• Merge branch 'develop' into readthedocs

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