QUESTDB: A Database of Highly-Accurate Excitation Energies
☆19Dec 9, 2025Updated 3 months ago
Alternatives and similar repositories for QUESTDB
Users that are interested in QUESTDB are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆24Mar 10, 2026Updated 2 weeks ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆32Updated this week
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Oct 7, 2019Updated 6 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆19Nov 24, 2025Updated 4 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆46Mar 16, 2026Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Dec 11, 2025Updated 3 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Mar 13, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆27Updated this week
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated 3 weeks 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.
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- ☆60Mar 2, 2026Updated 3 weeks ago
- Distributed Memory DMRG with ITensor like interface. Uses CTF for dense/sparse tensors manipulation; HDF5 storage.☆11Oct 26, 2020Updated 5 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- ☆29Jul 15, 2025Updated 8 months ago
- Set of tools for trexio files☆19Oct 27, 2025Updated 4 months ago
- gammcor code☆11Mar 10, 2026Updated 2 weeks ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- molecular point group symmetry lib☆16Dec 11, 2024Updated last year
- ☆12May 28, 2022Updated 3 years ago
- Companion package of the review paper entitled 'High-dimensional Gaussian sampling: A review and a unifying approach based on a stochasti…☆15Jan 10, 2023Updated 3 years ago
- An MPO-based DMRG code for Quantum Chemistry☆13Jul 11, 2018Updated 7 years ago
- A symbolic algebra system for tensorial and noncommutative algebras☆28Mar 1, 2026Updated 3 weeks ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- Automatic MR based on PySCF☆17Jan 25, 2026Updated 2 months ago
- Time Integration Package☆11Dec 17, 2024Updated last year
- Python package for computing indirect detection constraints on sub-GeV dark matter.☆13Dec 9, 2025Updated 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.
- Many-Body Perturbation solvers for Green project☆13Mar 9, 2026Updated 2 weeks ago
- fermionic Projected Entangled Pairs States (fPEPS)☆15Oct 25, 2018Updated 7 years ago
- ☆13Feb 20, 2025Updated last year
- HPCNow! training material and hands-on sessions☆19Jul 7, 2022Updated 3 years ago
- High-performance (& with GPU support) implementation of Stochastic Reconfiguration and Stochastic Wavefunction Optimisation methods for N…☆17May 7, 2024Updated last year
- Line-up optimiser for Fantasy Premier League☆13Aug 18, 2022Updated 3 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago