Quantum Monte Carlo Kernel Library
☆40Mar 24, 2026Updated 2 months ago
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☆19Apr 15, 2026Updated last month
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated 2 years ago
- QMC=Chem version 2☆20Dec 30, 2025Updated 4 months ago
- TREX I/O library☆69Apr 27, 2026Updated last month
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21May 17, 2026Updated last week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- QuAcK: a software for emerging quantum electronic structure methods☆33Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆17Sep 17, 2025Updated 8 months ago
- Dyson equation solvers for Green's function methods☆12May 11, 2026Updated 2 weeks ago
- Quantum Monte Carlo package, TurboRVB☆31Nov 25, 2025Updated 6 months ago
- Quantum Package : a programming environment for wave function methods☆79May 22, 2026Updated last week
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Apr 4, 2026Updated last month
- Donostia Natural Orbital Functional Software☆25May 18, 2026Updated last week
- A Python package for wave function-based quantum embedding☆40May 18, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Open Orbital Optimizer☆35May 21, 2026Updated last week
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆50May 5, 2026Updated 3 weeks ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated 2 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- 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.
- 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
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22May 22, 2026Updated last week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 5 months ago
- A python-solver for Tanabe-Sugano and energy-correlation diagrams☆20Jan 19, 2026Updated 4 months ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 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 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.
- 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
- ☆23May 19, 2026Updated last week
- A collection of awesome and self-documented m4 macros for GNU Autotools☆17Mar 24, 2025Updated last year
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 11 months ago
- Coupled-cluster package written in Python.☆50Nov 17, 2025Updated 6 months ago
- Generate isosurface from density data☆14May 21, 2026Updated last week