Pinned Repositories
archer
Archer, a data race detection tool for large OpenMP applications
Arpeggio
Parser interpreter based on PEG grammars written in Python http://textx.github.io/Arpeggio/
bioconda-recipes
Conda recipes for the bioconda channel.
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
gromacs
Public/backup repository of the gromacs molecular simulation toolkit
hpc-container-maker
HPC Container Maker
regressiontests
software-development
A primer on software development best practices for computational chemistry
mabraham's Repositories
mabraham/gromacs
Public/backup repository of the gromacs molecular simulation toolkit
mabraham/software-development
A primer on software development best practices for computational chemistry
mabraham/hpc-container-maker
HPC Container Maker
mabraham/regressiontests
mabraham/archer
Archer, a data race detection tool for large OpenMP applications
mabraham/Arpeggio
Parser interpreter based on PEG grammars written in Python http://textx.github.io/Arpeggio/
mabraham/bioconda-recipes
Conda recipes for the bioconda channel.
mabraham/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
mabraham/charlock_holmes
Character encoding detection, brought to you by ICU
mabraham/easybuild-easyconfigs
A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
mabraham/gromacs-gmxapi
Forked from the canonical GROMACS distribution, this repository supports the latests and greatest features of gmxapi that are not otherwise available.
mabraham/cmake-workshop
CMake
mabraham/cp2k
Quantum chemistry and solid state physics software package
mabraham/gromacs-feedstock
A conda-smithy repository for gromacs.
mabraham/gromacs-ramd
Random Acceleration Molecular Dynamics in GROMACS
mabraham/heffte
mabraham/linkchecker
check links in web documents or full websites
mabraham/llvm-project
The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.
mabraham/macports-ports
The MacPorts ports tree
mabraham/nordic-rse.github.io
The community of Research Software Engineers in Nordic countries.
mabraham/plumed2
Development version of plumed 2
mabraham/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
mabraham/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
mabraham/spaCy
💫 Industrial-strength Natural Language Processing (NLP) with Python and Cython
mabraham/testing-workshop-mark
Repp for use in the testing workshop
mabraham/urlchecker-python
:snake: :link: Python module and client for checking URLs
mabraham/VkFFT
Vulkan/CUDA/HIP/OpenCL/Level Zero Fast Fourier Transform library
mabraham/wcs_randomizer
Web app to help show random numbers during West Coast Swing competitions