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AmberPrep

Running

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1.26 MB

2 contributors

History: 27 commits

hemantn's picture

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Fix: Move superimposed viewer controls (Reset, Surface, Spin) inside the viewer box

cda5ee8 12 days ago

amberprep
Fix: Move superimposed viewer controls (Reset, Surface, Spin) inside the viewer box 12 days ago
.dockerignore

407 Bytes

Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub). 25 days ago
.gitattributes

1.52 kB

initial commit 5 months ago
.gitignore

556 Bytes

Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub). 25 days ago
Dockerfile

2.11 kB

Fix: Use autodock-vina 1.1.2 from bioconda, add prody and numpy<2.0 deps 25 days ago
README.md

11.3 kB

Rename project from AmberFlow to AmberPrep 25 days ago
SETUP_STEPS.md

3.51 kB

Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub). 25 days ago
start_web_server.py

291 Bytes

Rename project from AmberFlow to AmberPrep 25 days ago