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  • University of Virginia

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Achievements

Achievement: YOLOAchievement: Pull Sharkx3Achievement: Arctic Code Vault ContributorAchievement: Mars 2020 Contributor
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@gmxapi
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Popular repositories

  1. gromacs-gmxapi Public

    Forked from kassonlab/gromacs-gmxapi

    Forked from the canonical GROMACS distribution, this repository supports the latests and greatest features of gmxapi that are not otherwise available.

    C++ 1 2

  2. gmxapi Public

    Forked from kassonlab/gmxapi

    Gromacs API

    C++ 1

  3. gmxapi_graph_0_2 Public archive

    Specification for second generation gmxapi work serialization.

    Jupyter Notebook 1

  4. PDBchecker Public

    Python

  5. pybind11 Public

    Forked from pybind/pybind11

    Seamless operability between C++11 and Python

    C++

  6. gromacs_gmxapi_CLion_settings Public

    settings repository for CLion IDE

630 contributions in the last year

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Contribution activity

June 2022

Created 4 commits in 2 repositories
Opened 1 pull request in 1 repository
kassonlab/run_brer 1 merged
Reviewed 2 pull requests in 1 repository

Created an issue in kassonlab/run_brer that received 1 comment

Clarify support for (re)sampling from a pool of starting conformations.

We have been using a single starting conformation for entire ensembles of BRER sampling, and relying on the convergence phase to get us close to th…

1 comment
Opened 1 other issue in 1 repository
SCALE-MS/scale-ms 1 open

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