News for hackers. Stuff that matters.

A comment on Chemists provide theoretical interpretation to understand chemical reactions. Parent comment

Re:Chemists provide theoretical interpretation to understand... by tpfour on Monday January 01, 2018 @08:51PM (#16049256)
Hijacking this comment to shamelessly plug my project. We're holding a survey at https://docs.google.com/forms/d/1NXMpmD3DkDuAPgaOpLM2baJRyCi.... Our goal is to build the best platform for Computational Chemistry. Still in development stage, but I'd be glad to answer any questions. Also very appreciative of anybody who completes/shares this survey!
[ Parent | on HN ]
Re:Chemists provide theoretical interpretation to understand... by sseagull on Monday January 01, 2018 @09:42PM (#16049453)
I'm a bit interested to see where this project is headed. My main question is what do you mean by "platform for computational chemistry"? A new package or an interface to existing packages (like WebMO)?
[ Parent | on HN ]
Re:Chemists provide theoretical interpretation to understand... by tpfour on Monday January 01, 2018 @10:00PM (#16049526)
We're building an interface like WebMO, but modern. We are not re-writing any quantum chemical software for the moment, however we've written some as grad students. For now we are concentrating on replacing JMol and getting our API functional with NWChem.
[ Parent | on HN ]
Re:Chemists provide theoretical interpretation to understand... by sseagull on Monday January 01, 2018 @10:17PM (#16049599)
Is there an email/website I can use to get in touch? I'm part of an effort that touches on a lot of these areas.
[ Parent | on HN ]
Re:Chemists provide theoretical interpretation to understand... by tpfour on Monday January 01, 2018 @11:56PM (#16049963)
Sure! Reach us at [email protected].
[ Parent | on HN ]