Quantum Monte Carlo Kernel Library
☆40Mar 24, 2026Updated this week
Alternatives and similar repositories for qmckl
Users that are interested in qmckl are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Set of tools for trexio files☆19Oct 27, 2025Updated 5 months ago
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated last year
- QMC=Chem version 2☆20Dec 30, 2025Updated 2 months ago
- TREX I/O library☆66Feb 10, 2026Updated last month
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated this week
- 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.
- QuAcK: a software for emerging quantum electronic structure methods☆32Mar 22, 2026Updated last week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 6 months ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- Quantum Monte Carlo package, TurboRVB☆31Nov 25, 2025Updated 4 months ago
- Quantum Package : a programming environment for wave function methods☆79Mar 11, 2026Updated 2 weeks ago
- A Python package for wave function-based quantum embedding☆39Mar 14, 2026Updated 2 weeks ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Feb 11, 2026Updated last month
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Open Orbital Optimizer☆34Jan 25, 2026Updated 2 months ago
- Numerical integration grid for molecules.☆50Feb 3, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆42Feb 11, 2026Updated last month
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated 2 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Open source stochastic quantum chemistry☆80Dec 17, 2025Updated 3 months ago
- A python-solver for Tanabe-Sugano and energy-correlation diagrams☆20Jan 19, 2026Updated 2 months ago
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- A python application to help you place your processes and threads on the cpu cores, and to let you check the placement is correct☆16Apr 4, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- ☆23Mar 5, 2026Updated 3 weeks ago
- A collection of awesome and self-documented m4 macros for GNU Autotools☆17Mar 24, 2025Updated last year
- Coupled-cluster package written in Python.☆48Nov 17, 2025Updated 4 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- Generate isosurface from density data☆14Mar 7, 2026Updated 3 weeks ago