Open source stochastic quantum chemistry
☆81Oct 19, 2026Updated 2 weeks ago
Alternatives and similar repositories for hande
Users that are interested in hande are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆59May 18, 2026Updated 5 months ago
- Repository for all summer program related programs☆49Jul 24, 2026Updated 3 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 3 years ago
- ☆11Sep 20, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- testcode is a python module for testing for regression errors in numerical (principally scientific) software.☆25Jun 7, 2022Updated 4 years ago
- ☆63Mar 2, 2026Updated 8 months ago
- Coupled-cluster package written in Python.☆53Updated this week
- The mainline development distribution for QWalk☆36Sep 30, 2019Updated 7 years ago
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 3 years ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago
- ☆11Feb 23, 2021Updated 5 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- python module for performing blocking analysis on data containing serial correlations☆46Mar 20, 2024Updated 2 years ago
- C++ FCIQMC Implementation☆13Nov 8, 2024Updated last year
- A Python package to generate and evaluate many-body diagrams☆18Aug 9, 2023Updated 3 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆74Oct 24, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 10 months ago
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆413Updated this week
- 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.
- An automatic angular-momentum reduction package for tensor networks☆11Jul 16, 2020Updated 6 years ago
- A Schema for Quantum Chemistry☆106Sep 16, 2026Updated last month
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆72Aug 21, 2024Updated 2 years ago
- Finite-temperature HF/HF+BCS/HFB code for use with configuration interaction shell model Hamiltonians.☆10Feb 25, 2021Updated 5 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Jul 16, 2026Updated 3 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆74Jul 15, 2025Updated last year
- Quantum Monte Carlo Kernel Library☆41Oct 2, 2026Updated last month
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆25Apr 6, 2024Updated 2 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Nice latex makefile that works out of the box☆13Dec 9, 2019Updated 6 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆71Sep 3, 2026Updated 2 months ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 4 years ago
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 6 months ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆103Jul 24, 2021Updated 5 years ago
- ☆66Updated this week