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Pinned repositories

  1. mdtraj/mdtraj

    A modern, open library for the analysis of molecular dynamics trajectories

    C 121 84

  2. msmexplorer/msmexplorer

    Data visualizations for biomolecular dynamics

    Python 4 5

  3. msmbuilder/msmbuilder

    Statistical models for biomolecular dynamics

    Python 48 38

  4. msmbuilder/mdentropy

    Analyze correlated motions in MD trajectories with only a few lines of Python.

    Python 4

  5. msmbuilder/osprey

    Hyperparameter optimization for machine learning pipelines

    Python 28 11

  6. ipymol

    Control PyMOL sessions via IPython

    Python 8 7

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Contribution activity First pull request First issue First repository Joined GitHub

February 2017

Created a pull request in deepchem/deepchem-gui that received 9 comments

[WIP] Add CLI

This PR makes deepchem-gui a distributable package and adds an easy-to-use command-line interface: $ deepchem-gui -h usage: deepchem-gui [-h] [-V] c…

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