Ab initio quantum chemistry in Rust from scratch
☆17Oct 11, 2026Updated this week
Alternatives and similar repositories for rchem
Users that are interested in rchem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- An inversion-of-control framework for developing modular scientific software.☆13Updated this week
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated 2 weeks ago
- Materials used in a school on QMC methods☆25Aug 1, 2019Updated 7 years ago
- Quantum Monte Carlo package, TurboRVB☆33Nov 25, 2025Updated 10 months ago
- ☆15Feb 20, 2025Updated last year
- Set of tools for trexio files☆20Jul 1, 2026Updated 3 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 30, 2026Updated last week
- Main repository for the CP-PAW code☆14Updated this week
- A package for plotting and manipulating 1D spectra☆13Jul 30, 2024Updated 2 years ago
- 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.
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated last year
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 5 months ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 6 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- ☆10Mar 10, 2022Updated 4 years ago
- Fermi quantum chemistry program☆166Jul 31, 2026Updated 2 months ago
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 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.
- 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
- A Python package for wave function-based quantum embedding☆50Oct 1, 2026Updated last week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- ☆24Sep 9, 2026Updated last month
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- ☆19Jul 25, 2022Updated 4 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆42Aug 12, 2026Updated 2 months ago
- Accepted JOSE papers☆13Sep 22, 2026Updated 3 weeks ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 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.
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- QMC=Chem version 2☆20Dec 30, 2025Updated 9 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- ☆88Oct 9, 2025Updated last year
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Jan 30, 2020Updated 6 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆25Sep 14, 2026Updated 3 weeks ago