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/diffqc.png)
https://github.com/pfloos/QuAcK
QuAcK: a software for emerging quantum electronic structure methods
computational-chemistry coupled-cluster density-functional-theory electronic-structure electronic-structure-calculations greens-functions hartree-fock many-body-perturbation-theory n-body-problem perturbation-theory quantum-chemistry quantum-chemistry-methods quantum-chemistry-packages quantum-chemistry-programs quantum-mechanics
Last synced: 28 Jun 2024
![](https://github.com/pfloos.png)
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/molgw.png)
https://github.com/merzlab/QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
chemistry computational-chemistry cuda density-functional-theory electronic-structure-calculations gpu gpu-acceleration hartree-fock parallel-computing quantum-chemistry
Last synced: 28 Jun 2024
![](https://github.com/merzlab.png)
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/maxscheurer.png)
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/molsturm.png)
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
![](https://github.com/kyungminlee.png)
https://github.com/nwchemgit/nwchem
NWChem: Open Source High-Performance Computational Chemistry
chemistry computational-chemistry density-functional-theory electronic-structure-calculations hartree-fock molecular-simulation nwchem parallel-computing quantum-chemistry
Last synced: 31 May 2024
![](https://github.com/nwchemgit.png)