Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
☆19Dec 18, 2020Updated 5 years ago
Alternatives and similar repositories for pbcpy
Users that are interested in pbcpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 3 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU☆32Feb 23, 2017Updated 9 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆39Jul 18, 2026Updated last week
- 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.
- A physics computational framework for python and ipython☆39Jul 11, 2025Updated last year
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆67Jan 29, 2020Updated 6 years ago
- An introductory workshop to TensorFlow and Deep Learning☆14Mar 23, 2019Updated 7 years ago
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Jun 16, 2026Updated last month
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated last year
- Atomic crystal structures for Julia☆21Aug 15, 2018Updated 7 years ago
- Code from my blog post, Up and Running with React + Rust + Wasm☆11Feb 26, 2019Updated 7 years ago
- a compact set of python functions for creating many types of plots and data displays in SVG for use in web pages.☆12Mar 16, 2023Updated 3 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 collection of modern Fortran utilities☆16Dec 19, 2015Updated 10 years ago
- CLI tool for generating React Components ("bindings") from Stencil 1.x projects☆12Dec 29, 2019Updated 6 years ago
- A JS/TS library that expands upon the functionality of Sets☆13Jan 17, 2021Updated 5 years ago
- Statistical models to predict new materials☆14May 9, 2023Updated 3 years ago
- ☆13Nov 14, 2018Updated 7 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- SQLite for OpenVMS☆26Apr 19, 2015Updated 11 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Richard Skelton's code for dislocations☆12Jan 23, 2019Updated 7 years ago
- interdisciplinary numerical methods: half-semester "hub" course☆20Mar 29, 2026Updated 3 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆94Jan 21, 2020Updated 6 years ago
- TypeScript implementation of the CBOR specification☆22Feb 10, 2023Updated 3 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Desktop integration of high performance computing resources☆32May 8, 2026Updated 2 months ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- SymPy based framework for optimized code generation for BSSN formulation of Einstein equation for heterogeneous platforms.☆11Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 2 years ago
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 4 years ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Sep 29, 2023Updated 2 years ago
- ☆10Mar 5, 2025Updated last year
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- 🐰 Lightweight Emoji Picker for React Enthusiast☆17Jul 1, 2024Updated 2 years ago