pytopomatPython Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
isicleIn silico chemical library engine for high-accuracy chemical property prediction
EzResonAn efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
thermo pwThermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
qe-gpuGPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
VASPBERRYBerry curvature and Chern number calculations with the output (WAVECAR) of VASP code
qe-gipawQE-GIPAW for Quantum-Espresso (official repository)
ONCVPseudoPackCollection of ONCVPSP pseudopotentials for density-functional theory calculations
SIRIUSDomain specific library for electronic structure calculations
PWDFT.jlPlane wave density functional theory using Julia programming language
QUICKQUICK: A GPU-enabled ab intio quantum chemistry software package