Dear Rdkiters,

I use the last version of rdkit (2020.09.03) on both Windows and Linux
platforms, from identical Conda Python 3.9 environment. I have noticed
cross-platform incompatibility issues after having built a ML model from my
Linux machine and tried to run the model from my Windows machine. This was
due to missing chemical descriptors in the model read from the windows
machine.

I had a look at the list of chemical descriptors generated using
“Descriptors._descList” : 208 from the Linux machine, only  123 on windows.
(Linux has 85 additional descriptors not present in Windows, such as
fr_Al_COO, fr_Al_OH, fr_Al_OH_noTert...

Is there a problem in the versioning of one of the packages  2020.09.03?

Many thanks and regards,

Alexis
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to