Arian Jamasb

Thanks for this Ramon, looks great! Let me have a think about how to integrate this more. An immediate thought is to couple this to the `PDBManager` which can take...

Thanks @biochunan LGTM! Only comment re: pdb files - I'm quite sure these can be uploaded uncompressed. See: https://github.com/a-r-j/graphein/tree/master/tests/protein/test_data

On second thought, it's likely the `.gitignore` that's preventing you from adding the `.pdb` file. Try: `git add input_pdb_cryst1.pdb --force`.

Thanks for flagging this! You can follow the docs here: https://pytorch-geometric.readthedocs.io/en/2.1.0/notes/installation.html

Hey @kamurani great idea! This would be a great feature - is this something you'd like to work on? If you're just looking to get up and running I threw...

I see. It's probably best to set it up to accept arbitrary additional data (like `centre_node`) instead of hardcoding a specific use case. Sounds like an interesting application! Let me...

Hi @johnnytam100, happy new year to you too! At present, no, I don’t see an easy way to do that in Graphein. You could check out masif however. The original...

Hi @NAEV95 thanks for the feature request! 1) For node sizing, this was a request in a slightly different context (see: #197). I'm pretty wrapped up with things at the...

Hi @KevinCrp PDBs are the primary format for protein graphs as this is what is typically used in the community. Molecules are comparatively simpler to parse - there are a...

> Thanks for the suggestion. Is there a JS implementation for decompressing the structures, or at least the C++ code compiled to JS and/or WebAssembly? Not as far as I...