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DiffDock-Pocket-Web

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DiffDock-Pocket-Web

1 contributor

History: 32 commits

silterra's picture

Add license

247038e 11 months ago

.idea
Very basic initial streamlit app over 1 year ago
.gitattributes

1.52 kB

initial commit over 1 year ago
.gitignore

3.1 kB

Add standard python .gitignore file about 1 year ago
Dockerfile

482 Bytes

Install gradio in this image, instead of base DiffDock-Pocker image. about 1 year ago
LICENSE

1.15 kB

Add license 11 months ago
README.md

1.05 kB

Add UI inputs for pocket center x/y/z and flexible sidechains. 12 months ago
environment.yml

174 Bytes

Install gradio in this image, instead of base DiffDock-Pocker image. about 1 year ago
main.py

4.65 kB

Change pocket center inputs to be text 12 months ago
mol_viewer.py

2.74 kB

Display ligand (SDF) file as well as protein. about 1 year ago
requirements.txt

45 Bytes

Add UI inputs for pocket center x/y/z and flexible sidechains. 12 months ago
run_utils.py

6.26 kB

Add license 11 months ago