On 23/03/2019 04:39, Andrew Dalke wrote:
Hi RDKit users,
This week I submitted a paper about chemfp for publication. I also
submitted a preprint on ChemRxiv, which was just accepted.
For those interested, it's at
https://chemrxiv.org/articles/The_Chemfp_Project/7877846 .
It's a rather long paper as it covers many aspects about the chemfp
project, including the FPS and FPB formats, search algorithms, details
about the different ways to compute a popcount, and memory bandwidth
and latency bottlenecks. On a non-technical level I also describe some
of the difficulties I ran into trying to run chemfp as "commercial
free software."
The part about funding free software is quite interesting (I just
skimmed through this part of the paper, sorry).
Sometimes, I wish there was a rdkit consortium/NPO (so that donations
are tax deductible), so that rdkit could be massively funded by all its
commercial users, and even accepting individual donations.
When you think about Linux, several developers are paid
full-time either by the Linux foundation (I think) or by large companies
using Linux,
to work on the Linux kernel full-time.
I guess it gives them a lot of manpower to push their open-source
project forward
and maintain it in the long run.
Let me know of any corrections or improvements, or any other feedback
you might have.
Cheers,
Andrew
da...@dalkescientific.com
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