Python implementation of electronic structure theories for simulating spectroscopic properties
☆25Aug 3, 2026Updated this week
Alternatives and similar repositories for prism
Users that are interested in prism are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Feb 20, 2025Updated last year
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 3 months ago
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 7 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.
- Set of tools for trexio files☆20Jul 1, 2026Updated last month
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated 2 months ago
- gammcor code☆11Mar 10, 2026Updated 4 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated last month
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆52Updated this week
- ☆19Jun 20, 2026Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆34Jul 23, 2026Updated 2 weeks ago
- MRH's research code☆30Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆62Mar 2, 2026Updated 5 months ago
- ☆11Jun 11, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- ☆15Updated this week
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Open Orbital Optimizer☆37Updated this week
- Numerical integration grid for molecules.☆51Apr 14, 2026Updated 3 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 9 months ago
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- A Wick theorem kernel written in C++ and interfaced with Python☆53Feb 1, 2025Updated last year
- ☆11Mar 13, 2021Updated 5 years ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Jul 31, 2026Updated last week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A Python package for wave function-based quantum embedding☆45Updated this week
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 6 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆49Apr 23, 2026Updated 3 months ago
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Python bindings for TBLIS☆19Mar 9, 2026Updated 5 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆124May 29, 2026Updated 2 months ago
- TREX I/O library☆72Aug 2, 2026Updated last week