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AmberPrep
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1c8d468
AmberPrep
1.25 MB
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2 contributors
History:
16 commits
hemantn
Docker: use Miniforge instead of Miniconda to fix Anaconda ToS CI failures
1c8d468
3 months ago
amberflow
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
3 months ago
.dockerignore
Safe
407 Bytes
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
3 months ago
.gitattributes
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1.52 kB
initial commit
7 months ago
.gitignore
Safe
556 Bytes
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
3 months ago
Dockerfile
Safe
2.03 kB
Docker: use Miniforge instead of Miniconda to fix Anaconda ToS CI failures
3 months ago
README.md
Safe
11.3 kB
Add Hugging Face Spaces YAML config to README
3 months ago
SETUP_STEPS.md
Safe
3.51 kB
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
3 months ago
start_web_server.py
Safe
291 Bytes
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
3 months ago