Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with first-principles-calculations
A curated list of projects in awesome lists tagged with first-principles-calculations .
https://github.com/mzjb/DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian julia physics pytorch
Last synced: 13 Nov 2024
https://github.com/mineralscloud/pyqha.jl
A Julia-Python interface of https://github.com/MineralsCloud/qha
ffi ffi-wrapper first-principles-calculations julia-package materials-science python quasi-harmonic-approximation solid-state-physics
Last synced: 29 Nov 2024
