Hi all,
As you may know, Roche funded me to implement the multiple-structure
MCS algorithm which is now part of RDKit. They see it as a way to contribute
back to free and open source cheminformatics software projects.
I would like to show them that it has been a success, or at least that
people will be using the MCS code. I believe that this will encourage them to
continue funding free source projects.
Do you have any comments about the MCS work? I would like to collect them
and forward them to Roche. At the very least it might give them personal
satisfaction, but I expect that such feedback would also help justify the
funding. Feel free to reply to private email or on-list.
For example, at the RDKit users group meeting, Greg emphasized that the
MCS code (paraphrased) "filled the last major missing piece of
functionality in RDKit." Have you used the MCS code successfully?
Or if I may dream wildly, perhaps the success of the project has inspired
your group to plan adding or funding new contributions to RDKit?
Cheers,
Andrew
[email protected]
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