choderalab / software-development

A primer on software development best practices for computational chemistry
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Create a boilerplate package these docs can reference #54

Closed Lnaden closed 6 years ago

Lnaden commented 6 years ago

It would be helpful to have a boilerplate package that these docs can reference as an example. As discussed in #53.

The question is do we want to have it as part of this repository, or as its own repository?

If we have it as part of this repository:

If we have it separate:

Lnaden commented 6 years ago

One suggestion from @ctk3b in #53 is to make "a compchem focused cookiecutter repo."

davidlmobley commented 6 years ago

You guys could also do an article for Livecoms on this stuff and have an associated github repo. I've pitched this idea to Beckstein too and he had some interest, so maybe a team effort with him? A great way to get academic credit for doing it and disseminate more broadly, perhaps.