☆15Mar 3, 2026Updated last month
Alternatives and similar repositories for PyNOF
Users that are interested in PyNOF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gammcor code☆11Mar 10, 2026Updated 3 weeks ago
- Nomalizing flows for orbita-free DFT☆11Sep 20, 2024Updated last year
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆32Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Multi-collinear functional☆10Feb 12, 2026Updated last month
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 8 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆26Jan 5, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated 9 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- ☆19Jul 25, 2022Updated 3 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 2 years ago
- Interface between Openfermion and Dirac to perform relativistic quantum chemistry calculations simulated on a quantum computer☆14Aug 12, 2022Updated 3 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 5 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- 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.
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 2 months ago
- ☆14Mar 19, 2026Updated 3 weeks ago
- ☆14Jul 24, 2023Updated 2 years ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆19Oct 5, 2019Updated 6 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- ☆11Mar 28, 2026Updated last week
- MultiResolution Chemistry☆41Mar 18, 2026Updated 3 weeks ago
- Pythonic electronic structure theory.☆23Feb 28, 2026Updated last month
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 2 months ago
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Mar 6, 2024Updated 2 years ago