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OpenEye Toolkits v2019.Oct


OpenEye have announced the release of OpenEye Toolkits v2019.Oct. These libraries include the usual support for C++, C#, Java, and Python.


  • Spruce TK, a new toolkit for preparing biomolecular structures for modeling applications, is now available in both C++ and Python APIs. Full details of the methodology are here.
  • OEChem TK now provides improved substructure search capability, allowing users to search tens of millions of molecules in seconds.
  • SMIRNOFF, a small molecule force field from the Open Force Field Initiative, is now integrated into OEFF TK. The force field can handle almost all pharmaceutically relevant chemical space

Full details are in the release notes.

This is the last release to support macOS 10.12.

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