openpathsampling/openpathsampling: An open source Python framework for transition interface and path sampling calculations. · GitHub

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

openpathsampling.org

Topics

biomolecular-simulationmolecular-dynamicsmolecular-dynamics-simulationmolecular-modelingmonte-carlopath-sampling

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MIT license

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Name		Name	Last commit message	Last commit date
.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 sampling calculations.

See documentation here:

http://openpathsampling.org

About

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

openpathsampling.org

Topics

biomolecular-simulationmolecular-dynamicsmolecular-dynamics-simulationmolecular-modelingmonte-carlopath-sampling

Resources

Readme

MIT license

Activity

Custom properties

Stars

118 stars

Watchers

13 watching

Forks

53 forks

Report repository

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