Ecosyste.ms: Awesome

An open API service indexing awesome lists of open source software.

https://github.com/diffqc/dqc

Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)

automatic-differentiation computational-chemistry computational-physics density-functional-theory hartree-fock quantum-chemistry

Last synced: 28 Jun 2024

https://github.com/molgw/molgw

Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

bethe-salpeter dft fortran greens-functions hartree-fock molecule mpi quantum-mechanics scalapack tddft

Last synced: 28 Jun 2024

https://github.com/maxscheurer/cppe

C++ and Python library for Polarizable Embedding

embedding-models hartree-fock quantum-chemistry

Last synced: 28 Jun 2024

https://github.com/molsturm/molsturm

A modular electronic structure theory code

electronic-structure hartree-fock python quantum-chemistry sturmian

Last synced: 28 Jun 2024

https://github.com/kyungminlee/HartreeFockBogoliubov.jl

Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian

hartree-fock julia mean-field-theory physics

Last synced: 28 Jun 2024