GUI4dft - first free SIESTA oriented GUI
☆28Jul 15, 2026Updated this week
Alternatives and similar repositories for GUI4dft
Users that are interested in GUI4dft are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆226Jul 3, 2026Updated 2 weeks ago
- ☆14Dec 14, 2024Updated last year
- A code for generating irreducible site-occupancy configurations☆55Dec 19, 2023Updated 2 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- ☆39Oct 8, 2019Updated 6 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.
- Molcas wavefunction assistent☆13Jul 2, 2021Updated 5 years ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- Winter is coming...☆14Jan 23, 2019Updated 7 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆59Jul 15, 2019Updated 7 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated last year
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 6 months ago
- scripts related to qe☆28Jan 14, 2022Updated 4 years ago
- Interatomic potential creating using DFT training data.☆28Oct 20, 2019Updated 6 years ago
- Compilation of libraries and applications made easy☆10Jul 7, 2026Updated 2 weeks ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆22Updated this week
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 3 months ago
- Calculating electron-phonon couplings with DFTB.☆12Jul 1, 2026Updated 2 weeks ago
- A framework that predicts the molecular structure when given Infrared and 13C Nuclear magnetic resonance spectra without referring to any…☆10Jan 17, 2024Updated 2 years ago
- This is a tutorial prepared for a summer school in Changsha in 2021☆10Jul 15, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A web GUI for Slurm job management☆12Feb 23, 2023Updated 3 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆27Oct 17, 2023Updated 2 years ago
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated 3 months ago
- Python modules for electron–phonon models☆38Jul 8, 2026Updated last week
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 3 years ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Sep 28, 2023Updated 2 years ago
- Python wrapper for Lambda Lanczos☆17May 10, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- algorithmes classiques implémentés dans le cadre du cours modal programmation efficace à l'Ecole Polytechnique, Palaiseau☆21May 3, 2016Updated 10 years ago
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆15Updated this week
- Visualization and editing of periodic molecular structure files.☆28May 29, 2026Updated last month
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 7 months ago
- A short lecture introducing plane-wave DFT methods and DFTK☆13Jun 20, 2022Updated 4 years ago
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27May 8, 2026Updated 2 months ago
- simple visualization of molecules in python☆13Mar 20, 2023Updated 3 years ago