Could you give an approximation of when cdk 1.6 will be released?
This year, hopefully summer time.
How finished/polished/bugfree/tested is it?
There are a couple more features I want to add and optimise some will probably wait till 1.6. In terms of finishing off, a lot of code is using old implementations and needs to be ported over to improved methods. This is easy but tedious.
1.5.x is generally much more robust that 1.4.x. The ‘unstable’ in these releases refers to the fact that APIs might change between minor versions and not that the code is buggy. Although some issues do pop up in production of course there are far fewer test failures. CDK-KNIME has been using 1.5.x for a long time, Ambit was recently migrating. I’ve been using it since 1.5.1 as 1.4 really didn’t do what I needed.
Remaining test fails are mostly to do with MM2 and MMFF94 forcefields. This would be a lot of effort to fix (and I might do it) but it is possible those entire modules (forcefield/builder3d) could be deprecated. It would be useful to know if anyone on list is using these.
Is there any site where I can read about all of the API changes from 1.4?
I think the biggest change that causes the most pain in upgrading is the removal of Molecule.