Mark Abraham (mabraham)

mabraham

Geek Repo

Company:Intel

Location:Stockholm, Sweden

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gromacs

Mark Abraham's repositories

gromacs

Public/backup repository of the gromacs molecular simulation toolkit

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software-development

A primer on software development best practices for computational chemistry

archer

Archer, a data race detection tool for large OpenMP applications

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Arpeggio

Parser interpreter based on PEG grammars written in Python http://textx.github.io/Arpeggio/

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bioconda-recipes

Conda recipes for the bioconda channel.

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bioexcel-exascale-co-design-benchmarks

Exascale co-design benchmarks and kernels. These either relate to or are extracted from the BioExcel core applications: GROMACS, HADDOCK, and CP2K

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charlock_holmes

Character encoding detection, brought to you by ICU

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easybuild-easyconfigs

A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

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gromacs-gmxapi

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

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gromacs-feedstock

A conda-smithy repository for gromacs.

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gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS

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macports-ports

The MacPorts ports tree

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nordic-rse.github.io

The community of Research Software Engineers in Nordic countries.

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plumed2

Development version of plumed 2

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pti-gpu

Profiling Tools Interfaces for GPU (PTI for GPU) is a set of Getting Started Documentation and Tools Library to start performance analysis on Intel(R) Processor Graphics easily

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spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

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spaCy

đź’« Industrial-strength Natural Language Processing (NLP) with Python and Cython

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testing-workshop-mark

Repp for use in the testing workshop

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VkFFT

Vulkan/CUDA/HIP/OpenCL/Level Zero Fast Fourier Transform library

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wcs_randomizer

Web app to help show random numbers during West Coast Swing competitions

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