Macs in Chemistry

Insanely Great Science

ConstruQt

 

Just came across this site ConstruQt a molecular design tool that allows automated library-scale deployment of quantum chemical calculations.

  • Transforms molecular drawings into accurate 3D structures and energies of conformational, tautomeric and stereoisomeric space
  • Interactive visual navigation of the energies and structures
  • Contribute to the worlds largest repository of relevant molecules for chemical research. Fully open to all.

They are also looking for feedback https://www.surveymonkey.com/r/5L9TMNX

blog comments powered by Disqus