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 >
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