Macs in Chemistry

Insanely Great Science

quantum chemistry



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.

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