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hemantn
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AmberPrep
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AmberPrep
1.26 MB
  • 2 contributors
History: 27 commits
hemantn's picture
hemantn
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Fix: Move superimposed viewer controls (Reset, Surface, Spin) inside the viewer box
cda5ee8 6 days ago
  • amberprep
    Fix: Move superimposed viewer controls (Reset, Surface, Spin) inside the viewer box 6 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). 19 days ago
  • .gitattributes
    1.52 kB
    initial commit 4 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). 19 days ago
  • Dockerfile
    2.11 kB
    Fix: Use autodock-vina 1.1.2 from bioconda, add prody and numpy<2.0 deps 18 days ago
  • README.md
    11.3 kB
    Rename project from AmberFlow to AmberPrep 19 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). 19 days ago
  • start_web_server.py
    291 Bytes
    Rename project from AmberFlow to AmberPrep 19 days ago