Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.
☆28Aug 24, 2026Updated last week
Alternatives and similar repositories for espresso
Users that are interested in espresso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python input file generators for Avogadro 2☆16Updated this week
- An introduction to DFT.☆15May 17, 2024Updated 2 years ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Install script collection for open-source software☆14Jul 10, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Matlab toolbox to plot and to analyze nanoindentation data (with conical indenters)☆23Nov 7, 2023Updated 2 years ago
- Abinit tutorials based on AbiPy☆18Mar 30, 2022Updated 4 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Aug 5, 2026Updated 3 weeks ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆48Jun 26, 2025Updated last year
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 7 months ago
- A collection of examples for running different types of VASP calculations.☆36Oct 30, 2016Updated 9 years ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jul 9, 2026Updated last month
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆82Jul 13, 2026Updated last month
- 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.
- A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function …☆21Jun 19, 2023Updated 3 years ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Jan 20, 2025Updated last year
- The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and tr…☆36Aug 13, 2026Updated 2 weeks ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- Real-time TDDFT for Quantum-Espresso☆26Updated this week
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 5 months ago
- BURAI, a GUI system of Quantum ESPRESSO☆72May 7, 2021Updated 5 years ago
- Machine learning framework for electronic structure prediction of molecules☆19Sep 5, 2017Updated 8 years ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 11 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.
- The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space mul…☆20Jun 10, 2025Updated last year
- Qbox public repository☆40Updated this week
- A Virtual Machine for computational materials science☆106Jul 23, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆687Jul 9, 2026Updated last month
- C++ based DFT program for educational purposes☆62Dec 14, 2024Updated last year
- Let's benchmark quantum chemistry packages!☆23Nov 3, 2020Updated 5 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- Generate isosurface from density data☆15Aug 25, 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.
- Workshop: Micromagnetics with Ubermag☆29Feb 10, 2023Updated 3 years ago
- mumax3 calculator.☆27Aug 24, 2026Updated last week
- ☆17May 29, 2024Updated 2 years ago
- Oxford Instruments NanoAnalysis HDF5 File Specification☆25Mar 30, 2026Updated 5 months ago
- The recursive hybrid tetrathedron method for Brillouin zone integrations in 2D/3D☆11Nov 20, 2021Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Updated this week
- python workflow for GW-BSE calculation☆32Jun 16, 2023Updated 3 years ago