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https://github.com/openmm/openmm
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* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
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766 B
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20 lines
766 B
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.. currentmodule:: openmm.openmm
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OpenMM Python API
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=================
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The Python API provides information about the classes and methods available in OpenMM for Python developers.
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OpenMM consists of two parts. First, there is a set of :ref:`libraries <library>` for performing many types of computations needed for molecular simulations: force evaluation, numerical integration, energy minimization, etc.
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Second, there is an :ref:`application layer <app>`, a set of Python libraries providing a high level interface for running simulations. This layer is targeted at computational biologists or other people who want to run simulations, and who may or may not be programmers.
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See the user guide for more details.
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.. toctree::
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:maxdepth: 2
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app
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library
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