Add additional supplementary data, perhaps in markdown files?

[davidlmobley]

In a recent round of edits on bromodomain ligands, Mike Gilson suggested:

Would it make sense to add some info to the table providing the references for the computational papers for each ligand to date? On the other hand, this would deviate from what we are doing in the other benchmark data tables...

@GHeinzelmann - what do you think of this? Not for BRD4(1) in specific, but should we be perhaps compiling supplemental data (perhaps in markdown files that other people can easily edit) for each benchmark set that lists all of the studies of each ligand, perhaps by DOI, maybe also with a spot where people can remark on key insights from each study?

This would provide a way for the community to effectively add notes to this repo on what they think has been shown in the literature; then we could link to it from the paper but it wouldn't be part of the paper itself.

[davidlmobley]

@nhenriksen - would also be interested in your thoughts on this.

[GHeinzelmann]

I think this is a good idea. Since the main idea of the paper is comparing results from different free energy methods, it would be helpful to list the theoretical work that has been done for the same system. For me that is straightforward to add, just let me know how we are going to proceed (adding a DOI somewhere would work for me).

[nhenriksen]

@davidlmobley I think this is a good idea. Might be hard to keep it up to date, but hopefully the broader community could help out.

[davidlmobley]

@nhenriksen - that's part of my thinking of not putting it in the paper; then I'll feel less responsible to keep it up to date myself, but people can use it as a way to advertise what they've learned, and we can stick stuff there when we become aware of it. And since it won't be in the paper, we won't have to "polish" as much before sticking things there.

[nhenriksen]

Sounds good!