Our group works on development of smaller and larger software tools that are useful for practicing synthetic organic chemists.
An online tool for simulating and visualizing first order J-couplings in 1H NMR spectrums. Very handy when teaching first order coupling to students.
Converting between enantiomeric excess, enantiomeric ratio and ΔΔG‡ has never been this easy!
Command line tools
Command line tool for parsing orbital energies from orca output files.
Command line tool for parsing multi-xyz files produced by crest.