Pinned Repositories
Catch2
A modern, C++-native, test framework for unit-tests, TDD and BDD - using C++14, C++17 and later (C++11 support is in v2.x branch, and C++03 on the Catch1.x branch)
Catch2
A modern, C++-native, test framework for unit-tests, TDD and BDD - using C++14, C++17 and later (C++11 support is in v2.x branch, and C++03 on the Catch1.x branch)
highway
Performance-portable, length-agnostic SIMD with runtime dispatch
nlopt
library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization
oneMKL
oneAPI Math Kernel Library (oneMKL) Interfaces
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
pcmsolver
An API for the Polarizable Continuum Model
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
rdkit
The official sources for the RDKit library
vcpkg
C++ Library Manager for Windows, Linux, and MacOS
nielskm's Repositories
nielskm/Catch2
A modern, C++-native, test framework for unit-tests, TDD and BDD - using C++14, C++17 and later (C++11 support is in v2.x branch, and C++03 on the Catch1.x branch)
nielskm/highway
Performance-portable, length-agnostic SIMD with runtime dispatch
nielskm/nlopt
library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization
nielskm/oneMKL
oneAPI Math Kernel Library (oneMKL) Interfaces
nielskm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
nielskm/pcmsolver
An API for the Polarizable Continuum Model
nielskm/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
nielskm/rdkit
The official sources for the RDKit library
nielskm/vcpkg
C++ Library Manager for Windows, Linux, and MacOS