We are pleased to announce that the 2023.1.0 release of BioSimSpace is now available. The code has been updated to work with the new 2023 API of sire and includes updates and improvements from industrial collaborators Exscientia. There is a new website with improved documentation, a quickstart guide, and detailed tutorials showcasing some of what’s possible, including alchemical free-energy calculations and metadynamics.
Both the source and binary packages for Linux, MacOS and Windows, on X86-64 and ARM64 processors are available via our Conda channel, and also as a Docker container. You can also try out the latest version in your browser at try.openbiosim.org.
Written by Lester Hedges.