What would open data for a typical synthetic organic chemistry paper look like?; What would open data for a typical molecular dynamics based paper look like?; How raw should the deposited data be? Do funders have a view on, for example, whether I should deposit an NMR spectrum or the actual fid which can then be processed to give the spectrum?; What about iterative experiments? If I quote yield of 80% for a synthesis should I deposit data only for that synthesis or also for all the iterated syntheses that led to the final one?
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
This is the FAQ. The research data center is a service that zips FID files from NMR spectra. They add some extra metadata to the zip file. The files can be submitted to journals or ChemRXiv for storage or kept by the researcher.