AIMSim v2.0.1

Major Release - AIMSim v2.0

This release of AIMSim includes significant changes to the distribution and packaging. The requirements for the dependencies have been simplified enormously, which should allow AIMSim to be installed in the same virtual environment as a variety of other dependencies.

We recommend creating a new virtual environment and running pip install aimsim to try out the latest version today!

Direct support for mordred has been changed to optional -- to use it, you must be running Python 3.7 and then use the command pip install aimsim[mordred]. We have had significant issues in the past few weeks as mordred falls further into disrepair, and we may drop support for it in the coming months.

Other minor bug fixes:

• attempting to search for a fingerprint, but not a similarity measure, no longer raises an exception due to a missing configuration parameter.
• windows measure search logfile generation was fixed
• fixed an integer overflow error in the calculation of the pearson-morgan descriptor on windows platforms

Changelog

• fix issue #244 by @himaghna in #250
• Loosen Dependency Requirements for Python Compatibility by Dropping Mordred by @JacksonBurns in #241

Full Changelog: v1.1.2...v2.0.1