Quantum Package : a programming environment for wave function methods
☆80Oct 22, 2026Updated last week
Alternatives and similar repositories for qp2
Users that are interested in qp2 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 quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.☆13Apr 16, 2026Updated 6 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- ☆63Mar 2, 2026Updated 7 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 6 months ago
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated last month
- QMC=Chem version 2☆20Dec 30, 2025Updated 9 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆25Sep 14, 2026Updated last month
- Set of tools for trexio files☆20Oct 12, 2026Updated 2 weeks ago
- 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
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- TREX I/O library☆77Oct 20, 2026Updated last week
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- 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.
- public version of our general contraction code project☆11Sep 24, 2026Updated last month
- SOC integrals generator with atomic mean field approximation☆12Apr 26, 2026Updated 6 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 5 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- **ARCHIVED — development moved to github.com/fevangelista/wickd**☆55Aug 28, 2026Updated 2 months ago
- Quantum Monte Carlo Kernel Library☆41Oct 2, 2026Updated 3 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆27Updated this week
- Open Source Exascale Quantum Chemistry Software☆35Oct 21, 2026Updated last 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.
- gammcor code☆12Oct 22, 2026Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated 2 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- A Python package for wave function-based quantum embedding☆50Oct 20, 2026Updated last week
- decodense: Atom- and orbital-wise decompositions of mean-field molecular properties.☆14Oct 15, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆81Aug 8, 2023Updated 3 years ago
- Monte Carlo Configuration Interaction program☆12Mar 22, 2014Updated 12 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- ☆18Aug 18, 2026Updated 2 months ago
- Repository for all summer program related programs☆49Jul 24, 2026Updated 3 months ago
- ☆66Oct 22, 2026Updated last week
- A repository for quantum chemistry basis sets☆204Oct 6, 2026Updated 3 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.☆12Sep 24, 2026Updated last month