The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.
☆59May 22, 2026Updated this week
Alternatives and similar repositories for openqp
Users that are interested in openqp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics☆23Apr 27, 2026Updated 3 weeks ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22May 19, 2026Updated last week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 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.
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- Multipurpose ab initio MD program.☆12May 19, 2026Updated last week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆33Updated this week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Gold-Standard Chemical Database 138 (GSCDB138)☆35Mar 19, 2026Updated 2 months ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 3 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆38Mar 27, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆47Apr 23, 2026Updated last month
- pyblock3: an efficient python block-sparse tensor library☆29Mar 18, 2026Updated 2 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Pythonic electronic structure theory.☆23May 14, 2026Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆48May 14, 2026Updated last week
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆50Updated this week
- Coupled-cluster package written in Python.☆50Nov 17, 2025Updated 6 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆40Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Quantum Package : a programming environment for wave function methods☆79Updated this week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14May 16, 2026Updated last week
- ☆30Jul 15, 2025Updated 10 months 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
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 3 weeks ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆51Mar 27, 2026Updated last month
- Thermal and photochemical reaction path optimization and discovery☆76May 11, 2024Updated 2 years ago
- A high-performance toolkit for quantum and classical chemistry calculations.☆45Updated this week
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Apr 7, 2019Updated 7 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- dataset augmentation for atomistic machine learning☆24Nov 21, 2025Updated 6 months ago
- TREX I/O library☆68Apr 27, 2026Updated 3 weeks ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- QUESTDB: A Database of Highly-Accurate Excitation Energies☆20May 4, 2026Updated 3 weeks ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆23May 18, 2026Updated last week