Open source stochastic quantum chemistry
☆81Dec 17, 2025Updated 8 months 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:
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- The mainline development distribution for QWalk☆35Sep 30, 2019Updated 6 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 2 months 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 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Repository for all summer program related programs☆48Jul 24, 2026Updated 3 weeks ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- ☆62Mar 2, 2026Updated 5 months ago
- ☆11Feb 23, 2021Updated 5 years ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago
- ☆19Jul 25, 2022Updated 4 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆71Aug 21, 2024Updated last year
- testcode is a python module for testing for regression errors in numerical (principally scientific) software.☆25Jun 7, 2022Updated 4 years ago
- Coupled-cluster package written in Python.☆51May 28, 2026Updated 2 months ago
- 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.
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Quantum Monte Carlo Kernel Library☆41Jul 8, 2026Updated last month
- A Schema for Quantum Chemistry☆106Jul 30, 2026Updated 2 weeks ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Jul 16, 2026Updated last month
- A Python package for wave function-based quantum embedding☆48Aug 8, 2026Updated last week
- Fast computation of a gaussian and its derivative on a grid.☆32May 20, 2026Updated 2 months ago
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆398Updated this week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- 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.
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated last month
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆20May 15, 2026Updated 3 months ago
- MultiResolution Chemistry☆44Jul 15, 2026Updated last month
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆30May 13, 2025Updated last year
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated last month
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆69Aug 12, 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.
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated last year
- A Wick theorem kernel written in C++ and interfaced with Python☆53Feb 1, 2025Updated last year
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 years ago
- python module for performing blocking analysis on data containing serial correlations☆45Mar 20, 2024Updated 2 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 2 months ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 3 years ago