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Demonstration in Jupyter notebook #117

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eirrgang opened this issue Jun 20, 2018 · 0 comments
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Demonstration in Jupyter notebook #117

eirrgang opened this issue Jun 20, 2018 · 0 comments
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In addition to a walk-through / tutorial / sample workflow (#30 ), we need a Jupyter notebook that just facilitates exploring the syntax and structure of gmxapi and the Python module. Since a big part of current functionality is the handling of MD plugin code, the notebook requires the sample_restraint repository and will (at least initially) be packaged there.
@eirrgang eirrgang added the task Task in support of a larger issue label Jun 20, 2018
@eirrgang eirrgang self-assigned this Jun 20, 2018
@eirrgang eirrgang mentioned this issue Jun 20, 2018
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