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d9114a44ae
Also add web app code for simple gradio app. Refine requirements.txt/environment.yml. Automatically download models if not present.
955 B
955 B
title, emoji, colorFrom, colorTo, sdk, port, app_file, pinned
| title | emoji | colorFrom | colorTo | sdk | port | app_file | pinned |
|---|---|---|---|---|---|---|---|
| DiffDock Web | 📊 | yellow | indigo | docker | 7860 | main.py | false |
How to use this space
This is a simple app intended to showcase DiffDock. One can upload a protein and ligand, and calculate the predicted structure. The results are visualized in 3D and can be downloaded.
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This app is designed to take 1 protein (in PDB format) and 1 ligand (in SDF format) at a time. For bulk inference, use the command line interface.
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Our demonstration space uses a CPU, so it may take a few minutes to run. For faster results, use a GPU. One can duplicate this space (at their own expense) by selecting "⋮" -> "Duplicate this space" in the top right corner, and then selecting a GPU in the "Settings" tab.
Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference