Contents
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FEgrow - An Open-Source Molecular Builder and Free Energy Preparation Workflow

.. toctree::
   main
   installation
   tutorial
   api
   acknowledgments
   license


**version 1.2.0**

- [Feature] Linkers with a library

**version 1.1.0**

- Fix: [RP] ExactMolWt used in the lipinski Ro5 is for mass spec/crystallography for specific isotopes. Moving on to
  the more appropriate MolWt.

**version 1.0.2**

- adjusting the files for the conda-release

**version 1.0.1**

- Fix+Feature: optimise_in_receptor function now takes platform_name argument allowing to use cuda or cpu for non-ani or ani optimisation.
- Fix: embedding openmm-ml into fegrow in order to create a conda package

**version 1.0.0**

- Initial release