QuAcK: a software for emerging quantum electronic structure methods
☆34Sep 30, 2026Updated last week
Alternatives and similar repositories for QuAcK
Users that are interested in QuAcK are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Set of tools for trexio files☆20Jul 1, 2026Updated 3 months ago
- gammcor code☆12Sep 29, 2026Updated last week
- QMC=Chem version 2☆20Dec 30, 2025Updated 9 months ago
- ☆15Aug 3, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆24Updated this week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆47May 29, 2026Updated 4 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 4 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 3 months ago
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 5 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- TREX I/O library☆76Updated this week
- Quantum Monte Carlo Kernel Library☆41Oct 2, 2026Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Quantum Package : a programming environment for wave function methods☆80Sep 25, 2026Updated 2 weeks ago
- A Python package for wave function-based quantum embedding☆50Oct 1, 2026Updated last week
- QUESTDB: A Database of Highly-Accurate Excitation Energies☆29Jul 30, 2026Updated 2 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated 2 years ago
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆25Sep 14, 2026Updated 3 weeks ago
- Open Orbital Optimizer☆38Aug 26, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- 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
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 months ago
- Pythonic electronic structure theory.☆23Aug 25, 2026Updated last month
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆26Sep 29, 2026Updated last week
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated 2 weeks ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- public version of our general contraction code project☆11Sep 24, 2026Updated 2 weeks ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- Main repository for the CP-PAW code☆13Sep 30, 2026Updated last week