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 >
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