I have created a cookiecutter which borrows from this repo to provide a skeletal structure for people to kickstart their projects from. It only has some basic test structure and skeletal files, but it might be worth linking to it from here once it gets some refinement.
https://github.com/choderalab/cookiecutter-python-comp-chem
Thoughts and feedback are welcome!
I have created a cookiecutter which borrows from this repo to provide a skeletal structure for people to kickstart their projects from. It only has some basic test structure and skeletal files, but it might be worth linking to it from here once it gets some refinement.
https://github.com/choderalab/cookiecutter-python-comp-chem
Thoughts and feedback are welcome!