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jrwnter / cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
MIT License
218 stars 72 forks source link

Git Large File Storage #27

Open heberleh opened 2 years ago

heberleh commented 2 years ago

Hi, just wanted to share our use case about the CDDD lib.

I had to compile my own .whl package and include the default_model in it because Google Drive is blocked by firewalls here.

I am storing the 500MB .whl in github with Git LFS.

I recommend users to use my cddd.whl unofficial package for simplicity. Now we can just use the default_model without duplicating cddd folders and data over projects.

Wondering if the google drive url can be replaced with git lfs url.

Thanks for the tool! All the best!

rbf22 commented 2 years ago

What is the LFS link or the cddd.whl?

heberleh commented 2 years ago

It is currently internal. I'm in the process to open our project to Bayer Open Source.

heberleh commented 2 years ago

We were using code and folders, then I did this to simplify other users to use our notebook.

heberleh commented 2 years ago

But what I meant is that maybe the LFS could be used on this repo to load the model on demand, maybe? Or to have a bigger version of the package? I just wanted to share. Soon the notebook will be open-source then you can check there if you want.