Ab initio quantum chemistry in Rust from scratch
☆17Oct 28, 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:
- Quantum chemical simulation in Julia☆10Aug 15, 2020Updated 6 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Principal Interacting Orbital analysis for python 3☆10Oct 29, 2023Updated 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.
- Fundamentals of heterogeneous parallel programming with CUDA C/C++ at the beginner level.☆11Mar 18, 2026Updated 7 months ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- An inversion-of-control framework for developing modular scientific software.☆13Oct 23, 2026Updated last week
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated last month
- Materials used in a school on QMC methods☆25Aug 1, 2019Updated 7 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.
- Quantum Monte Carlo package, TurboRVB☆33Nov 25, 2025Updated 11 months ago
- ☆15Feb 20, 2025Updated last year
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Set of tools for trexio files☆20Oct 12, 2026Updated 3 weeks ago
- Monte Carlo Configuration Interaction program☆12Mar 22, 2014Updated 12 years ago
- Linear Scaling Electronic Structure☆13Jan 3, 2017Updated 9 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆35Updated this week
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 6 years ago
- A package for plotting and manipulating 1D spectra☆13Jul 30, 2024Updated 2 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.
- MRH's research code☆35Updated this week
- Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.☆13Apr 16, 2026Updated 6 months ago
- Symbolic computations with second quantized operators☆13Oct 22, 2026Updated last week
- 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 6 months ago
- ☆10Mar 10, 2022Updated 4 years ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- Fermi quantum chemistry program☆166Jul 31, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- decodense: Atom- and orbital-wise decompositions of mean-field molecular properties.☆14Oct 15, 2026Updated 2 weeks ago
- ☆24Sep 9, 2026Updated last month
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Nov 16, 2022Updated 3 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 3 years ago
- Accepted JOSE papers☆13Sep 22, 2026Updated last month
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago