search

CNNs4QSPR / cnns4qspr

A package for creating rich, equivariant, structural and chemical features from protein structure data.
MIT License
5 stars 4 forks source link

Repository structure #2

Closed dacb closed 4 years ago

dacb commented 4 years ago

I only looked in master, but I saw some issues with your repo structure (thought it looks like you might be working on this). Make sure you follow the repository layout pattern in this PDF: https://github.com/UWDIRECT/UWDIRECT.github.io/raw/master/Wi20_content/SEDS/L9.Project_Structure.pdf

Some things I saw... The module directory did not have an __init__.py. Also, in the module directory, there shouldn't be any jupyter notebooks, except maybe in a demo directory, though that is often in the repo root, not the module directory. No unit tests! I'll make a separate issue about this. You have directories like se3cnn_v3 in the repo root. These look like specific training runs. That can be fine, though you may want to organize them in a models directory in the repo root and then use README.md in the models or the repo root to explain what they are.

davidcjuergens commented 4 years ago

@dacb Fixed repo structure, okay to close this?

dacb commented 4 years ago

Looks great!