Jonas Schaub

Hi @egonw no worries, I am also looking forward to that blog post about our meeting! On the subject at hand: I guess it would be best if I simply...

Hi @johnmay I would propose to create a "standardisation" module, then. We are planning to implement further standardisation routines with/for CDK anyway in our group.

Hi @egonw and @johnmay , picking this up after some time: if you both still agree that both functionalities would be beneficial for CDK to integrate, I would start two...

Thanks @johnmay for the initial feedback! > there are lots of public helper functions (isCharged() for example) which should be private/package-private so they are not leaked in the JavaDoc. These...

@johnmay and @egonw , I have put my Sugar Removal Utility into the extra module and there into the tools package. Again, I had to adjust the dependencies of the...

@johnmay sorry for dropping the ball on this here; I will make the requested changes soon! Thanks for the initial review.

The PR you sent me is for the functional groups functionality. Good that you mention that because I haven't seen it before (incorrect "watch" settings on my fork, I'm very...

Good luck with that, hope it's going well!

@johnmay and @egonw , I have integrated the FunctionalGroupsFinder (dropped the "Ertl" as suggested by John) into the cdk-fragment module. I had to change the dependencies of the module a...

@johnmay, Thank you for your comments! cdk-data is now out of the non-test scope again and I have implemented some of your suggestions. About the many public methods: I have...