v2.0.3 release

Release for JOSS submission

v2.0.1

Bug fixes and tests missed in 2.0.0

Release v2.0.0

Code has been majorly restructured. Analysis code has been included and openmm torch plugin should be fully functional now.

v1.1.3

update example_script in test folder

release v1.1.1 fixe IPython bug

Remove IPython

molearn v1.0.1 update

Bug fix:
Fixed loading of parameters to use pkg_resources
removed extra parameters folder

molearn v1.0.0 release

Initial release. Repackaged to setuptools preference and with the desire to publish on conda forge.