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144 followers · 25 following

Achievements

Achievement: Starstruckx2Achievement: QuickdrawAchievement: Pair Extraordinairex3Achievement: YOLOAchievement: Mars 2020 ContributorAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

Achievements

Achievement: Starstruckx2Achievement: QuickdrawAchievement: Pair Extraordinairex3Achievement: YOLOAchievement: Mars 2020 ContributorAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

Organizations

@MDAnalysis

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  • yaehmop-feedstock Public

    Forked from conda-forge/yaehmop-feedstock

    A conda-smithy repository for yaehmop.

    Shell BSD 3-Clause "New" or "Revised" License Updated Mar 2, 2019

  • yaehmop Public

    Forked from greglandrum/yaehmop

    Yet Another extended Hueckel Molecular Orbital Package

    C Other Updated Feb 15, 2019

  • conda-forge-webservices Public

    Forked from conda-forge/conda-forge-webservices

    The heroku app deployed to run ```conda smithy recipe-lint``` for all conda-forge PRs

    Python BSD 3-Clause "New" or "Revised" License Updated Feb 14, 2019

  • Scipy2019 Public

    Forked from Becksteinlab/scipy2019-pmda-data

    Scipy2019

    Updated Feb 13, 2019

  • conda-smithy Public

    Forked from conda-forge/conda-smithy

    The tool for managing conda-forge feedstocks.

    Python BSD 3-Clause "New" or "Revised" License Updated Feb 13, 2019

  • gsoc Public

    Forked from numfocus/gsoc

    NumFOCUS Google Summer of Code Materials

    TeX Updated Jan 23, 2019

  • foyer Public

    Forked from mosdef-hub/foyer

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

    Python MIT License Updated Jan 14, 2019

  • GCMCworkflow Public

    Perform GCMC sampling using Fireworks!

    Python 2 1 GNU General Public License v3.0 Updated Nov 20, 2018

  • richardjgowers.github.io Public

    Forked from barryclark/jekyll-now

    Build a Jekyll blog in minutes, without touching the command line.

    Jupyter Notebook 1 MIT License Updated Nov 16, 2018

  • MDAnalysisSandbox Public

    Forked from MDAnalysis/MDAnalysisSandbox

    user contributed analysis modules

    Python GNU Lesser General Public License v3.0 Updated Nov 13, 2018

  • persistence_length_tutorial Public

    Calculate the persistence length of polymers using MDAnalysis

    Jupyter Notebook 6 MIT License Updated Oct 25, 2018

  • scipy Public

    Forked from scipy/scipy

    Scipy library main repository

    Python Other Updated Oct 12, 2018

  • GromacsWrapper Public

    Forked from Becksteinlab/GromacsWrapper

    GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools into python scripts. This is generall…

    Python GNU General Public License v3.0 Updated Aug 16, 2018

  • hydraspa Public

    Python 2 1 GNU General Public License v3.0 Updated Aug 3, 2018

  • PorousMaterials.jl Public

    Forked from SimonEnsemble/PorousMaterials.jl

    Julia package towards classical molecular modeling of nanoporous materials

    Julia GNU General Public License v3.0 Updated Jul 27, 2018

  • ibisco Public

    Hybrid scale coarse graining

    Fortran Updated Jul 18, 2018

  • ParmEd Public

    Forked from ParmEd/ParmEd

    Parameter/topology editor and molecular simulator

    Python Updated Jul 18, 2018

  • arrow Public

    Forked from apache/arrow

    Apache Arrow is a cross-language development platform for in-memory data. It specifies a standardized language-independent columnar memory format for flat and hierarchical data, organized for effic…

    C++ Apache License 2.0 Updated Jun 27, 2018

  • falass Public

    Forked from arm61/falass

    Neutron and X-ray Reflectometry from Computer Simulation

    Python MIT License Updated Jun 17, 2018

  • zeoplusplus Public

    Mirror of http://zeoplusplus.org/

    C++ 8 5 Other Updated May 3, 2018

  • voroplusplus Public

    Mirror of http://math.lbl.gov/voro++/about.html

    C++ Other Updated May 3, 2018

  • poreblazer Public

    Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.

    Fortran 9 4 GNU General Public License v3.0 Updated Feb 28, 2018

  • pandas Public

    Forked from pandas-dev/pandas

    Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

    Python BSD 3-Clause "New" or "Revised" License Updated Nov 13, 2017

  • matplotlib Public

    Forked from matplotlib/matplotlib

    matplotlib: plotting with Python

    Python Updated Nov 10, 2017

  • rspace-client-python Public

    Forked from rspace-os/rspace-client-python

    Example Python client code for the RSpace API

    Python Apache License 2.0 Updated Oct 31, 2017

  • cclib-data Public

    Forked from cclib/cclib-data

    Computational chemistry logfiles used as regression tests by cclib

    Python Updated Aug 14, 2017

  • cclib Public

    Forked from cclib/cclib

    Parsers and algorithms for computational chemistry logfiles

    Python BSD 3-Clause "New" or "Revised" License Updated Aug 14, 2017

  • cclib.github.io Public

    Forked from cclib/cclib.github.io

    Pages for cclib

    HTML GNU Lesser General Public License v2.1 Updated Aug 13, 2017

  • gregchung.github.io Public

    Forked from gitter-badger/gregchung.github.io

    Chung Research Group

    HTML MIT License Updated Aug 3, 2017

  • GCMCbenchmarks Public

    Input files for GCMC benchmarking work

    Jupyter Notebook GNU General Public License v3.0 Updated Jul 6, 2017