M-R-Schaefer's Stars
PacktPublishing/Cpp-High-Performance
C++ High Performance, published by Packt
HypothesisWorks/hypothesis
Hypothesis is a powerful, flexible, and easy to use library for property-based testing.
scivision/lapack-cmake-meson
CMake FindLAPACK.cmake that works with Intel MKL, Atlas, OpenBLAS, Netlib, LAPACK95 for C / C++ / Fortran
psi4/psi4numpy
Combining Psi4 and Numpy for education and development.
pybind/pybind11
Seamless operability between C++11 and Python
martinezjavier/ldd3
Linux Device Drivers 3 examples updated to work in recent kernels
SMTG-Bham/galore
Gaussian and Lorentzian smearing of simulated spectra
dftd4/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
SMTG-Bham/sumo
Heavyweight plotting tools for ab initio calculations
GitSquared/edex-ui
A cross-platform, customizable science fiction terminal emulator with advanced monitoring & touchscreen support.
grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
xdanaux/moderncv
A modern curriculum vitae class for LaTeX
James-Yu/LaTeX-Workshop
Boost LaTeX typesetting efficiency with preview, compile, autocomplete, colorize, and more.
sigma-py/quadpy
:triangular_ruler: Numerical integration (quadrature, cubature) in Python
arrayfire/arrayfire
ArrayFire: a general purpose GPU library.
dev-cafe/cmake-cookbook
CMake Cookbook recipes.
bast/somepackage
Show how to structure a Python project.
egeerardyn/awesome-LaTeX
Curated list of LaTeX awesomeness
Wookai/paper-tips-and-tricks
Best practice and tips & tricks to write scientific papers in LaTeX, with figures generated in Python or Matlab.
derric/cleanthesis
Clean Thesis is a clean, simple, and elegant LaTeX style (or template) for thesis documents.
SINGROUP/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
MartinThoma/LaTeX-examples
Examples for the usage of LaTeX
SUNCAT-Center/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
alexpovel/latex-cookbook
A comprehensive LaTeX template with examples for theses, books and more, employing the 'latest and greatest' (UTF8, glossaries, fonts, ...). The PDF artifact is built using CI/CD, with a Python testing framework.
huanghe314/free-programming-books
:books: Freely available programming books
cmacmackin/fortran_template
An empty project written in Fortran, with a Makefile capable of handling module dependencies
charnley/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
hrldcpr/hungarian
Hungarian / Munkres' algorithm for the linear assignment problem, in Python
matthewghgriffiths/fastoverlap
Algorithms for fast alignment of structures in finite and periodic systems.
tdedecko/hungarian-algorithm
Implementation of Hungarian Algorithm with Python and NumPy