Functional Motif Scaffolding and Binder Design Support

#1
by AmelieSchreiber - opened

Could this space be modified to support the scaffolding of functional motifs? EvoDiff supports this and unconditional generation seems somewhat less useful. Am I misunderstanding how to use this space properly? Also, what about designing binding partners for target proteins (either unconditional or given binding sites as "hotspots") as is done in RFDiffusion? Both of these functionalities would be invaluable for building interesting protein complexes. Also, I know inpainting of IDRs is a unique capability of EvoDiff that most protein diffusion models can't do, but could we do inpainting of other types of regions also, or design proteins or complexes with some kind of symmetry?

Hello! It's actually already in the code of the Gradio app, just commented out. Since HuggingFace doesn't handle local temporary files very well, I opted to turn it off for the online version. If you download the code and run it locally, just uncomment lines 138 and 144 in the app.py file. https://huggingface.co/spaces/colbyford/evodiff/blob/main/app.py#L138

Also, if you know how to get the local temp file stuff working in Spaces, I'm happy to add it back in on here.

Very cool, thanks for letting me know!

Sign up or log in to comment