MultiResolution Chemistry
☆44Sep 2, 2026Updated this week
Alternatives and similar repositories for mrchem
Users that are interested in mrchem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MultiResolution Computation Program Package☆16Updated this week
- Very Accurate Multiresolution Python Routines☆15Aug 11, 2026Updated 3 weeks ago
- Donostia Natural Orbital Functional Software☆28May 18, 2026Updated 3 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 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.
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆14Aug 24, 2026Updated last week
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 4 years ago
- Numerical integration grid for molecules.☆51Aug 17, 2026Updated 2 weeks ago
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 2 months ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆26Updated this week
- Kohn-Sham Python-based inversion Evaluation Software☆16Dec 22, 2021Updated 4 years ago
- Many-body dispersion library☆66Aug 23, 2026Updated last week
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 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.
- 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 fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 6 years ago
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated last year
- MOPAC wrapper providing the PM6-ML correction☆25Mar 23, 2026Updated 5 months ago
- Reusable DFT Grids for the Masses☆19Jun 11, 2026Updated 2 months ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆18Aug 13, 2018Updated 8 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆29Jun 12, 2026Updated 2 months 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.
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 3 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- ☆15Aug 3, 2026Updated last month
- ☆19Jul 25, 2022Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- Python bindings for TBLIS☆19Aug 16, 2026Updated 2 weeks ago
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 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.
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- ERKALE -- HF/DFT from Hel☆54Aug 15, 2026Updated 2 weeks ago
- Repository for PseudopotentialLibrary.org website and database☆17Jun 29, 2026Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆53Aug 10, 2026Updated 3 weeks ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 7 years ago