QUESTDB: A Database of Highly-Accurate Excitation Energies
☆21May 4, 2026Updated last month
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.☆24Apr 27, 2026Updated last month
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆33May 25, 2026Updated 2 weeks ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆13Oct 7, 2019Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 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 6 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆48May 14, 2026Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 2 weeks ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Jun 1, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22Updated this week
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆31Jun 6, 2026Updated last week
- Donostia Natural Orbital Functional Software☆25May 18, 2026Updated 3 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- 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
- ☆61Mar 2, 2026Updated 3 months 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☆52Feb 1, 2025Updated last year
- ☆30Jul 15, 2025Updated 10 months ago
- Set of tools for trexio files☆19May 27, 2026Updated 2 weeks ago
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- 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.
- molecular point group symmetry lib☆18May 25, 2026Updated 2 weeks ago
- ☆12May 28, 2022Updated 4 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☆14Jul 11, 2018Updated 7 years ago
- A symbolic algebra system for tensorial and noncommutative algebras☆30May 1, 2026Updated last month
- Dyson equation solvers for Green's function methods☆12May 11, 2026Updated last month
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 4 months ago
- Time Integration Package☆11Dec 17, 2024Updated last year
- Python package for computing indirect detection constraints on sub-GeV dark matter.☆14Dec 9, 2025Updated 6 months 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.
- fermionic Projected Entangled Pairs States (fPEPS)☆16Oct 25, 2018Updated 7 years ago
- ☆14Feb 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 2 years ago
- 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 3 years ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Mar 10, 2026Updated 3 months ago