Coupled-cluster package written in Python.
☆47Nov 17, 2025Updated 3 months ago
Alternatives and similar repositories for ccpy
Users that are interested in ccpy are comparing it to the libraries listed below
Sorting:
- Dyson equation solvers for Green's function methods☆12Updated this week
- A Python package for wave function-based quantum embedding☆39Feb 17, 2026Updated 2 weeks ago
- ☆55Dec 17, 2025Updated 2 months ago
- Open Orbital Optimizer☆33Jan 25, 2026Updated last month
- ☆19Jul 25, 2022Updated 3 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆44Feb 23, 2026Updated last week
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Feb 23, 2026Updated last week
- PyMES is a package for developing new methods in quantum chemistry.☆13Jan 29, 2026Updated last month
- Molecular frequency-dependent response properties for arbitrary operators☆11Feb 22, 2026Updated last week
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 11 months ago
- I can't believe it's NonAbelian!☆33Jan 5, 2026Updated last month
- pyblock3: an efficient python block-sparse tensor library☆29Feb 18, 2026Updated last week
- An MPO-based DMRG code for Quantum Chemistry☆13Jul 11, 2018Updated 7 years ago
- ☆60Jun 30, 2025Updated 8 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Feb 24, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆19Feb 3, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- adcc: Seamlessly connect your program to ADC☆39Feb 24, 2026Updated last week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- MRH's research code☆26Updated this week
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Donostia Natural Orbital Functional Software☆24Feb 9, 2026Updated 3 weeks ago
- Open source stochastic quantum chemistry☆79Dec 17, 2025Updated 2 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated 2 weeks ago
- ☆10Sep 27, 2024Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆22Feb 5, 2026Updated 3 weeks ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated last month
- An open source program for the description of metastable electronic states in molecules.☆24Apr 26, 2025Updated 10 months ago
- Geometrical Counter-Poise Correction☆13Nov 19, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆101Feb 20, 2026Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆86Jun 8, 2024Updated last year