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Commit History
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Change pocket center inputs to be text
Jacob Silterra40e4bad -
Add UI inputs for pocket center x/y/z and flexible sidechains.
Jacob Silterra275b482
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Improve logging
Jacob SilterraHopefully this will make debugging easier on HF3ee7677
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Display ligand (SDF) file as well as protein.
Jacob SilterraAlso color them both.b1dc6ad
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Complete overhaul of the UI.
Jacob Silterra* Use Blocks instead of Interface. * Show protein in nice 3dmol viewer after calculation is finished.5c0a4b6 -
Add ability to upload a YAML file with other arguments (all passed to inference.py).
Jacob Silterra0303515
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Install gradio in this image, instead of base DiffDock-Pocker image.
Jacob Silterra25e2e8a
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Tweak output zip filename
Jacob Silterra47e84bb -
Add standard python .gitignore file
Jacob Silterrabd9e411 -
Change name to DiffDock-Pocket Web
Jacob Silterra251b92f -
Some reformatting and refactoring. Upgrade gradio to 3.50.
Jacob Silterra28fb149 -
Have gradio app call inference.py
Jacob Silterra6daa4cc
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Inherit from other container again
Jacob Silterra74830dc -
Switch to gradio UI
Jacob Silterrae533974 -
Update readme
Jacob Silterra90ab2dd -
Tweaks for updated Gradio
Jacob Silterra6d9b318 -
Switch to gradio app
Jacob Silterra7fc9185 -
Set server address
Jacob Silterra06643fb -
Simplify Dockerfile. Just testing streamlit now
Jacob Silterra6862690 -
Change working directory
Jacob Silterra43db59c -
Add a comment just because I need to change something
Jacob Silterra4cd1ad2 -
Use CMD instead of entrypoint
Jacob Silterra077dcab -
Set to non-root user
Jacob Silterraf64d1b3
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Add entrypoint script
Jacob Silterracce856b -
Set root_prefix
Jacob Silterrafd67120 -
Add basic streamlit app
Jacob Silterra68787b5
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Use our other diffdock-pocket image as a base
Jacob Silterraa02989c -
Switch to Docker space
Jacob Silterrac877fd9 -
Add basic app and basic Dockerfile
Jacob Silterraec60126 -
Very basic initial streamlit app
Jacob Silterra1cfa9d3 -
initial commit
Jacob Silterra32d0f59