Re: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

Yes, great news. Matt has really started a very nice work there. I hope it can be turned into something like a well-documented, open standard for molecule standardization. Markus - | Markus Sitzmann | markus.sitzm...@gmail.com > On 26. Apr 2018, at 00:29,

Re: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

Susan, great news, looking forward to this project, enjoy GSoC! Paul Von: Susan Leung [mailto:susan.le...@st-hildas.ox.ac.uk] Gesendet: Mittwoch, 25. April 2018 23:35 An: rdkit-discuss@lists.sourceforge.net Betreff: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project Hi all,

[Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

Hi all, I am really excited and happy to let you know that I will be working with Greg on a RDKit-MolVS integration project as part of the Open Chemistry Google Summer of Code. I have followed and used the RDKit mailing list

Re: [Rdkit-discuss] 2018.03.1 RDKit release

Dear Andrew, I have the same performance on the future in coming EEM implementation a win of 15-20% of time!!! Guillaume Le 25.04.18 10:50, « Andrew Dalke » a écrit : On Apr 25, 2018, at 01:31, David Hall wrote: > You need to turn off RDK_INSTALL_INTREE Thanks! I've put tha

Re: [Rdkit-discuss] 2018.03.1 RDKit release

On Apr 25, 2018, at 01:31, David Hall wrote: > You need to turn off RDK_INSTALL_INTREE Thanks! I've put that my build notes for the next time I compile RDKit. BTW, a quick benchmark of the new release shows that it's almost 15% faster at parsing SMILES strings than 2016.09.3 That is, parsing t