--- a +++ b/docs/source/index.rst @@ -0,0 +1,47 @@ +.. selfies documentation master file, created by + sphinx-quickstart on Sun Jun 14 23:40:28 2020. + You can adapt this file completely to your liking, but it should at least + contain the root `toctree` directive. + +Welcome to the SELFIES documentation! +===================================== + +SELFIES (SELF-referencIng Embedded Strings) is a 100% robust molecular string +representation. A main objective is to use SELFIES as direct input into +machine learning models, in particular in generative models, for the +generation of outputs with guaranteed validity. + +This library is intended to be light-weight and easy to use. + +For explanation of the underlying principle (formal grammar) and experiments, +please see the `original paper`_. + +For comments, bug reports or feature ideas, please use github issues +or send an email to mario.krenn@utoronto.ca and alan@aspuru.com. + +.. _original paper: https://doi.org/10.1088/2632-2153/aba947 + +Installation +############ + +Install SELFIES in the command line using pip: + +.. code-block:: + + $ pip install selfies + + +.. toctree:: + :maxdepth: 2 + :caption: Contents + + derivation + tutorial.ipynb + selfies + +Indices and tables +================== + +* :ref:`genindex` +* :ref:`modindex` +* :ref:`search`