Skip to content

Releases: CCEMGroupTCD/DARTassembler

v1.1.0 (major update)

07 Apr 10:18

Choose a tag to compare

Major update. Introduced the concept of ligand coordination archetypes and assembling transition metal complexes from any combination of the 22 existing ones, including multi-metallic and haptic coordination environments.

v1.0.4

09 Jan 11:05

Choose a tag to compare

Fixes the following issues:
#6: Fixed rare issue with random name generation
#7: Fixed appearing of openbabel warning messages

v1.0.3

05 Dec 16:14

Choose a tag to compare

Fixes #5, which filtered out too many complexes with tridentates in the ligand clashing filter.

v1.0.2

06 Nov 17:55

Choose a tag to compare

  • Added support for Windows (#3)
  • Some other minor fixes (#4)
  • Improved documentation (#1)

v1.0.1

22 Oct 10:14

Choose a tag to compare

Restricted Python version to <=3.12 because in 3.13, something with RDKit seemed to fail.

Init

21 Oct 16:48

Choose a tag to compare

Initial release of DARTassembler, the Python package to DART (Directed Assembly of Random Transition metal complexes).