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DiffDock-Pocket-Web

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DiffDock-Pocket-Web

20.1 kB

1 contributor

History: 31 commits

Jacob Silterra

Change pocket center inputs to be text

40e4bad almost 2 years ago

.idea
Very basic initial streamlit app about 2 years ago
.gitattributes
1.52 kB

initial commit about 2 years ago
.gitignore
3.1 kB

Add standard python .gitignore file about 2 years ago
Dockerfile
482 Bytes

Install gradio in this image, instead of base DiffDock-Pocker image. about 2 years ago
README.md
1.05 kB

Add UI inputs for pocket center x/y/z and flexible sidechains. almost 2 years ago
environment.yml
174 Bytes

Install gradio in this image, instead of base DiffDock-Pocker image. about 2 years ago
main.py
4.65 kB

Change pocket center inputs to be text almost 2 years ago
mol_viewer.py
2.74 kB

Display ligand (SDF) file as well as protein. about 2 years ago
requirements.txt
45 Bytes

Add UI inputs for pocket center x/y/z and flexible sidechains. almost 2 years ago
run_utils.py
6.27 kB

Add UI inputs for pocket center x/y/z and flexible sidechains. almost 2 years ago