Coupled-cluster package written in Python.
☆51May 28, 2026Updated 3 months ago
Alternatives and similar repositories for ccpy
Users that are interested in ccpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated last month
- A Python package for wave function-based quantum embedding☆49Updated this week
- ☆61Updated this week
- **ARCHIVED — development moved to github.com/fevangelista/wickd**☆53Updated this week
- Open Orbital Optimizer☆38Updated this week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 3 months ago
- ☆62Mar 2, 2026Updated 5 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆37Updated this week
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆54Updated this week
- pyblock3: an efficient python block-sparse tensor library☆30Mar 18, 2026Updated 5 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated 3 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Python bindings for TBLIS☆19Aug 16, 2026Updated 2 weeks ago
- Molecular frequency-dependent response properties for arbitrary operators☆12Updated this week
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆24Aug 20, 2026Updated last week
- QUESTDB: A Database of Highly-Accurate Excitation Energies☆28Jul 30, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 4 months ago
- adcc: Seamlessly connect your program to ADC☆42Aug 21, 2026Updated last week
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- MRH's research code☆33Updated this week
- I can't believe it's NonAbelian!☆33Updated this week
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆74Updated this week
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 8 months ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆33Updated this week
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- An open source program for the description of metastable electronic states in molecules.☆25Apr 27, 2026Updated 4 months ago
- gammcor code☆11Mar 10, 2026Updated 5 months ago
- public version of our general contraction code project☆11Jan 26, 2026Updated 7 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆70May 27, 2026Updated 3 months ago