FastROCS TK 1.10.0

New features

  • FastROCS TK has been optimized to yield a further ~2-3x in performance compared to the previous release. The performance improvement will vary from system to system. See more details in the Release Highlights 2019.Apr section.

Minor bug fixes

  • GPUs in prohibited mode will now be honored when querying the number of available devices on the system. Previously, a fatal error occurred during the search.

Python-specific changes

  • The example in the ShapeDatabasePrep section now defaults to a maximum of 10 conformers per molecule and saves the coordinates in half-float precision. A flag is provided to switch to full-float precision coordinates.

Documentation changes