Hi Paolo,
Yes, that is very helpful indeed, so thank you!
Perhaps something of this nature could be added either to the cookbook or the
docs as this API is rather unclear?
Cheers,
Jeff
From: Paolo Tosco
Date: Friday, August 14, 2020 at 1:34 PM
To: Jeffrey Van santen
Cc: "rdkit-di
Hello all,
I realize that this topic has been discussed in some detail
(https://sourceforge.net/p/rdkit/mailman/rdkit-discuss/thread/76909664-2C16-4B61-8BEE-2196B3721EA1%40gmail.com/#msg34923617),
but I remain somewhat confused. Let me layout what I am trying to achieve:
I would like a method f
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