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An open source Python framework for transition interface and path sampling calculations.

openpathsampling.org

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.autorelease		.autorelease
.github/workflows		.github/workflows
devtools		devtools
docs		docs
examples		examples
openpathsampling		openpathsampling
.coveragerc		.coveragerc
.gitignore		.gitignore
CITATIONS.md		CITATIONS.md
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
autorelease-env.sh		autorelease-env.sh
codecov.yml		codecov.yml
pytest.ini		pytest.ini
setup.cfg		setup.cfg
setup.py		setup.py

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OpenPathSampling

An open source Python framework for transition interface and path samplingcalculations.

See documentation here:

http://openpathsampling.org

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An open source Python framework for transition interface and path sampling calculations.

openpathsampling.org

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monte-carlo molecular-dynamics molecular-dynamics-simulation molecular-modeling biomolecular-simulation path-sampling

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openpathsampling 1.7.0 Latest

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