Hi Greg, Thanks for your response. I installed it through conda forge too: [image: image.png] I did not change anything in the source code (at least intentionally...) Must have done something wrong, sorry about that. I am going to re-install. Cheers,
Alexis On Fri, 19 Feb 2021 at 15:47, Greg Landrum <greg.land...@gmail.com> wrote: > Hi Alexis, > > How did you install the rdkit on these machines? > I see len(Descriptors._descList)=208 on both windows and linux using the > conda-forge rdkit builds for v2020.09.3 and v2020.09.4 > > -greg > > > On Fri, Feb 19, 2021 at 3:04 PM Alexis Parenty < > alexis.parenty.h...@gmail.com> wrote: > >> 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 >> >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
