search

alchemistry / fileformat

File formats for free energy calculations, molecular simulations, etc.
Other
2 stars 2 forks source link

Reference implementation #11

Open avirshup opened 8 years ago

avirshup commented 8 years ago

To make this usable, it would be best to have a working reference implementation to read and write molecular JSON files according the spec as it evolves.

I will almost certainly maintain a implementation in Autodesk/molecular-design-toolkit, since it would make it very easy to run simulations and create visualizations based on these files.

MDT could be considered the "official" reference implementation, or this project could also host its own version.

davidlmobley commented 8 years ago

@avirshup - I don't think "this project" is enough of a project yet for this to be too big a concern, so I'm certainly fine with the MDT one being official until there is enough community momentum that we either decide to make it really official or, er, host a different official one. :)

In other words, I have no idea.