[Rdkit-devel] GSoC project introduction - C.C. web repository

2017-05-08 Thread Nitish Garg
Hi everyone, I am working on the project "Computational Chemistry Web repository " during GSoC 2017. This project will require using cclib, 3Dmol.js, OpenBabel (and probably RDKit in extension of this project) an

Re: [Rdkit-devel] GSoC project introduction - C.C. web repository

2017-05-08 Thread Brian Kelley
Nitish, This is pretty interesting stuff :) There has been thinking about open-sourcing our in-house descriptor engine that we use to call some common chemistry software libraries. If it would be helpful at all, I can advance this project forward faster if you may find it useful. Note that a g