CONTRIBUTING.md
DEVELOPMENT.md
LICENSE
MANIFEST.in
NOTICES
README.md
requirements.txt
setup.cfg
setup.py
versioneer.py
moldesign/.dockerignore
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moldesign/_notebooks/.gitattributes
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moldesign/_notebooks/Example 1. Build and simulate DNA.ipynb
moldesign/_notebooks/Example 2. UV-vis absorption spectra.ipynb
moldesign/_notebooks/Example 3. Simulating a crystal structure.ipynb
moldesign/_notebooks/Example 4. HIV Protease bound to an inhibitor.ipynb
moldesign/_notebooks/Example 5. Enthalpic barriers.ipynb
moldesign/_notebooks/Getting Started.ipynb
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moldesign/_notebooks/Tutorial 2. Biochemical basics.ipynb
moldesign/_notebooks/Tutorial 3. Quantum Chemistry.ipynb
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