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DiffDock-Pocket-Web

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DiffDock-Pocket-Web

1 contributor

History: 28 commits

silterra's picture

Display ligand (SDF) file as well as protein.

b1dc6ad over 1 year 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 over 1 year ago
Dockerfile

482 Bytes

Install gradio in this image, instead of base DiffDock-Pocker image. over 1 year ago
README.md

232 Bytes

Change name to DiffDock-Pocket Web over 1 year ago
environment.yml

174 Bytes

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

3.04 kB

Display ligand (SDF) file as well as protein. over 1 year ago
mol_viewer.py

2.74 kB

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

43 Bytes

Add ability to upload a YAML file with other arguments (all passed to inference.py). over 1 year ago
run_utils.py

5.79 kB

Display ligand (SDF) file as well as protein. over 1 year ago