An open source program for the description of metastable electronic states in molecules.
☆24Apr 27, 2026Updated last month
Alternatives and similar repositories for opencap
Users that are interested in opencap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- QUESTDB: A Database of Highly-Accurate Excitation Energies☆20May 4, 2026Updated 3 weeks ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- ☆11Apr 25, 2026Updated last month
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated last month
- adcc: Seamlessly connect your program to ADC☆40Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22May 22, 2026Updated last week
- Donostia Natural Orbital Functional Software☆25May 18, 2026Updated last week
- ☆16Mar 18, 2026Updated 2 months ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21May 17, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 11 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- TREX I/O library☆69Apr 27, 2026Updated last month
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆40Updated this week
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 19, 2026Updated last week
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- ☆14Feb 20, 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.
- Main repository for the CP-PAW code☆12Apr 29, 2026Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆25Nov 7, 2025Updated 6 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆33Updated this week
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- Coupled-cluster package written in Python.☆50Nov 17, 2025Updated 6 months ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- interacting Dynamic Electrons Approach☆31Apr 3, 2026Updated last month
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated last month
- Computational graph states for variational monte carlo☆17Jul 21, 2019Updated 6 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.
- Repository for PseudopotentialLibrary.org website and database☆17Sep 17, 2025Updated 8 months ago
- gammcor code☆11Mar 10, 2026Updated 2 months ago
- ☆58May 12, 2026Updated 2 weeks ago
- Generate isosurface from density data☆14May 21, 2026Updated last week
- A Python package for wave function-based quantum embedding☆40May 18, 2026Updated last week
- High-performance computation of the Epstein zeta function, including Python, Julia and Mathematica bindings☆16Updated this week
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year