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* make CLI starting guide easier to find from the landing page * Python API -> API Docs * bump ci * bump example notebooks pin to 2026.01.26 * change a word * clarifying language
26 lines
646 B
ReStructuredText
26 lines
646 B
ReStructuredText
.. _api:
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.. note::
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We have reproduced API documentation from the `gufe`_ package here for convenience.
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`gufe`_ serves as a foundation layer for openfe, providing abstract base classes and object models, and so might be more useful for developers.
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Python API Reference
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====================
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.. toctree::
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:maxdepth: 2
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systems_and_components
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atom_mappers
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ligand_network
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alchemical_network_planning
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defining_and_executing_simulations
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openmm_rfe
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openmm_solvation_afe
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openmm_binding_afe
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openmm_septop
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openmm_md
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openmm_protocol_settings
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.. _gufe: https://gufe.openfree.energy/en/stable/api.html
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