Greg Landrum
Greg Landrum
@DavidACosgrove as we discussed.
> @greglandrum would you like me to try on my Mac? I feel a certain responsibility! I did a build on my old Mac Mini and it seems fine. But...
> > @greglandrum would you like me to try on my Mac? I feel a certain responsibility! > > I did a build on my old Mac Mini and it...
@ptosco this seems to be causing the minimal build tests to fail when they load the WASM module. Any thoughts I how I might be able to diagnose and fix...
Hi @ChemRMB: please include the code which demonstrates the problem in the issue report, not in some external source like a colab notebook which may change/vanish at some point in...
@ChemRMB the sample code above does not work, so I can't make any progress on figuring out what's going on here.
> * support new fields in AtomMonomerInfo in the molpickler For this I think you're going to need to bump the pickle version and update the reading code to be...
> * I would also like to bring back [Add helper apis to access commonly used residue info on atom #8219](https://github.com/rdkit/rdkit/pull/8219) & add some tests 👍
> The test I wrote passes and I think this should be sufficient to preserve old pickles since the behavior only changes if new tags are detected, but I'm not...
> > The test I wrote passes and I think this should be sufficient to preserve old pickles since the behavior only changes if new tags are detected, but I'm...