Qbox public repository
☆39Apr 24, 2025Updated 11 months ago
Alternatives and similar repositories for qbox-public
Users that are interested in qbox-public are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- WEST code☆33Mar 3, 2026Updated last month
- ☆19Jul 25, 2022Updated 3 years ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆45Mar 26, 2026Updated 2 weeks ago
- ☆11Nov 10, 2020Updated 5 years ago
- wxMacMolPlt is a graphical user interface principally for the GAMESS program☆31Jan 3, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- Official mirror of Quantum ESPRESSO☆48Jan 27, 2018Updated 8 years ago
- ERKALE -- HF/DFT from Hel☆53Jan 25, 2026Updated 2 months ago
- ☆13Sep 19, 2023Updated 2 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- Repository for the code and documentation of EveRplot☆13Jul 20, 2023Updated 2 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆23Aug 12, 2025Updated 7 months ago
- BerkeleyGW python☆33Jan 8, 2022Updated 4 years ago
- Neural force field learning toolkit☆14Dec 22, 2025Updated 3 months ago
- 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.
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.☆28Apr 2, 2026Updated last week
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆66Jan 29, 2020Updated 6 years ago
- Canonical normalizing flows☆10Apr 30, 2019Updated 6 years ago
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 3 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 9 months ago
- ☆13Feb 14, 2025Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Jul 2, 2025Updated 9 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated last week
- simple visualization of molecules in python☆14Mar 20, 2023Updated 3 years ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- A wrapper for many computational codes of thermal conductivity☆27Jul 6, 2022Updated 3 years ago
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆46Feb 16, 2024Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Mar 31, 2026Updated last week
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- PySCF website and documentation☆40Apr 3, 2026Updated last week
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆50Mar 27, 2026Updated 2 weeks ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆19Jul 1, 2024Updated last year
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 5 years ago
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago