The release-only repository of the subsystem focused quantum chemistry code Serenity
☆51Mar 27, 2026Updated last month
Alternatives and similar repositories for serenity
Users that are interested in serenity are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆24Sep 5, 2025Updated 8 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated 3 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- 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.
- ☆88Oct 9, 2025Updated 6 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Main repository for the CP-PAW code☆12Apr 29, 2026Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆32Updated this week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆24Aug 12, 2025Updated 8 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated last week
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 2 months ago
- Kohn-Sham Python-based inversion Evaluation Software☆16Dec 22, 2021Updated 4 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆49Updated this week
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Apr 28, 2026Updated last week
- MultiResolution Chemistry☆43Updated this week
- A modern C++ library for high-performance configuration interaction methods☆20Apr 27, 2026Updated last week
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 4 years ago
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- Modular computation tool chain library☆22Mar 4, 2026Updated 2 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 6 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆47Apr 23, 2026Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆61Apr 7, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 3 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago