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  • Arctic Code Vault Contributor

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@MDAnalysis @conda-forge @datreant @openforcefield @alchemistry @mmoss-io

Pinned

  1. The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

    Jupyter Notebook 104 31

  2. the simple alchemistry library

    Python 45 20

  3. Quantum chemistry program executor and IO standardizer (QCSchema).

    Python 66 44

  4. persistent, pythonic trees for heterogeneous data

    Python 30 8

  5. MDAnalysis is a Python library to analyze molecular dynamics trajectories.

    Python 490 260

  6. Python-powered, cross-platform, Unix-gazing shell

    Python 3.8k 419

324 contributions in the last year

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Contribution activity

August 2020

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