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Pinned

  1. A hierarchical, component based molecule builder

    Python 99 68

  2. Manage large and heterogeneous data spaces on the file system.

    Python 72 21

  3. A package for atom-typing as well as applying and disseminating forcefields

    Python 57 57

  4. Easy to use Python library for creating 2D arcade games.

    Python 976 185

  5. Experiments with expanded ensembles to explore chemical space

    Python 71 20

626 contributions in the last year

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Contribution activity

July 2021

Created a pull request in samplchallenges/SAMPL-league that received 2 comments

AWS CodePipeline

There was an issue with our code pipeline where we need to only have the app/ folder copied onto beanstalk, this should fix that. Later we can add …

+11 −0 2 comments
Opened 4 other pull requests in 3 repositories
samplchallenges/SAMPL-league
2 merged
openmm/openmmforcefields
1 open
choderalab/perses
1 open
Reviewed 7 pull requests in 3 repositories

Created an issue in openmm/openmm that received 2 comments

Link to docs 404s

The README.md links to http://docs.openmm.org/ which redirects to https://openmm.org/documentation.html which then 404s. I'm guessing this happened…

2 comments
Opened 3 other issues in 2 repositories

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