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." Let me know of any corrections or improvements, or any other feedback you might have. Cheers, Andrew [email protected] _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
