Hi JW, I don't think it's a great GSoC project for a couple of reasons, but I'd love to have RDKit integration in Google Sheets and am willing to do some work to make that happen. I can poke around a bit to see about how we could use the new RDKit-JS wrappers, but having access to someone with experience writing Sheets add-ins would help. If you know someone internally meeting that description, please put them in touch with me.
I think making the code easily available in Colab can only be done by someone inside google. I'm happy to help however I can with that if you (or anyone else) can identify the right person. Best, -greg On Sat, Mar 7, 2020 at 2:22 AM JW Feng <jw.a.f...@gmail.com> wrote: > Project suggestion: > > Project 1: > Implement 2D structure depiction in Google Spreadsheets. My colleagues at > Google think this is very doable. Being able to depict structures in > Google Spreadsheets will dramatically increase collaboration between > scientists. Imaging being able to provide comments for a structure, design > idea, or virtual screening hit in a live Google Spreadsheet. While there > are commercial (Vortex, Spotfire, MarvinView, Stardrop ...) and open source > (Datawarrior) packages that can read CSV files containing smiles and depict > structures, none comes close to GSheets for collaboration and ease of use. > > - Cells in columns named SMILES, or have SMILES as a substring in the > header, will be depicted in 2D using RDKit > - Cells with depicted structures move with other columns when sorting, > filtering, etc. > - Optional: depictions update when SMILES string is edited > - Bonus: calculate properties using formulas. Ex: Descriptors.MolWt(A1) > calculates MW of SMILES in A1 > > Project 2: > > - Make it easy to use RDKit in Google Colab > <https://colab.sandbox.google.com/notebooks/intro.ipynb#recent=true> > - No need to install RDKit, from rdkit import Chem just works out of > the box > > Best, > > JW > On Sun, Feb 23, 2020 at 11:48 PM Greg Landrum <greg.land...@gmail.com> > wrote: > >> Dear all, >> >> I'm happy to share that the RDKit will once again be part of Google >> Summer of Code in 2020. This is a program where Google funds students to >> work on open-source projects for a couple of months over the summer. We've >> participated in each of the last three years and had some cool stuff come >> out of it. >> >> We're looking for a few more project ideas (along with possible mentors!) >> as well as students. >> Applications start in the middle of March. There's more info about >> timelines here: >> https://developers.google.com/open-source/gsoc/timeline >> >> The current set of project ideas is here and we could use a few more: >> http://wiki.openchemistry.org/GSoC_Ideas_2020#RDKit_Project_Ideas >> I'm going to try and come up with something, but if you have something to >> add, please let me know. >> >> Best, >> -greg >> >> >> >> >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
