Switch from SMI to TSV

[cthoyt]

I can imagine linking up CheBI identifiers to entries in this database, but a SMI file is typically only two columns. Perhaps we could switch the single source of truth to a TSV and have the SMI be a build artifact

Then the TSV could also reflect what’s in the readme for the repo

I am offering to do this if you agree with the idea.

[cthoyt]

@fbaensch-beilstein the project readme said that the goal here was to make this an open science initiative - I would suggest turning on email + github notifications!

[mnietfeld]

@fbaensch-beilstein the project readme said that the goal here was to make this an open science initiative - I would suggest turning on email + github notifications!

That's what we did, thanks for the suggestion! Absences, vacations and other projects make it impossible to react on a day-to-day basis here. So stay tuned.

[fbaensch-beilstein]

I can imagine linking up CheBI identifiers to entries in this database, but a SMI file is typically only two columns. Perhaps we could switch the single source of truth to a TSV and have the SMI be a build artifact

Then the TSV could also reflect what’s in the readme for the repo

I am offering to do this if you agree with the idea.

@cthoyt I like the idea, as it reflects what we discussed internally. Unfortunately, we don't currently have the resources to implement this, so it would be very helpful if you could do it. It would be great if you could open a PR for this. We can then clarify the details there if neccessary.