Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
☆245Mar 25, 2026Updated last month
Alternatives and similar repositories for atomsk
Users that are interested in atomsk are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 4 months ago
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 8 months ago
- A grain boundary generation code☆85Sep 12, 2023Updated 2 years ago
- Public development project of the LAMMPS MD software package☆2,870Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆185Oct 17, 2025Updated 6 months 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.
- pyiron - an integrated development environment (IDE) for computational materials science.☆449Oct 13, 2025Updated 6 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆390Updated this week
- LAMMPS tutorials for Beginners☆462Feb 19, 2023Updated 3 years ago
- ☆38Oct 8, 2019Updated 6 years ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆195Updated this week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆108Aug 4, 2024Updated last year
- Atomify - a realtime LAMMPS visualizer☆159Oct 19, 2022Updated 3 years ago
- n2p2 - A Neural Network Potential Package☆243Mar 17, 2025Updated last year
- A Python package for manipulating atomistic data of software in computational science☆246Apr 20, 2026Updated last week
- 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.
- Manipulating VASP files with Python.☆295Jun 19, 2022Updated 3 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆190Mar 4, 2026Updated last month
- A simple, robust and flexible just-in-time job management framework in Python.☆181Apr 6, 2026Updated 3 weeks ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆246Apr 9, 2026Updated 2 weeks ago
- Materials science with Python at the atomic-scale☆234Apr 20, 2026Updated last week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated 3 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆140Apr 14, 2026Updated 2 weeks ago
- LAMMPS inputs and data files☆303Oct 9, 2024Updated last year
- 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.
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆312Nov 17, 2025Updated 5 months ago
- Atomic interaction potentials based on artificial neural networks☆128Apr 16, 2026Updated last week
- A book on modeling materials using VASP, ase and vasp☆428Apr 21, 2026Updated last week
- p4vasp, the VASP Visualization Tool☆155May 21, 2022Updated 3 years ago
- Graphics Processing Units Molecular Dynamics☆757Updated this week
- VSCODE extension for language support of LAMMPS scripts☆57Apr 8, 2026Updated 3 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 3 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆159Apr 22, 2026Updated last week
- Solvation model for the plane wave DFT code VASP.☆175Oct 1, 2025Updated 6 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Apr 20, 2026Updated last week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆72Mar 15, 2024Updated 2 years ago
- Machine Learning Package Targeted for Amorphous Materials.☆20Feb 19, 2021Updated 5 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆140Apr 6, 2026Updated 3 weeks ago
- A Python library for electronic structure pre/post-processing☆212Jan 29, 2026Updated 3 months ago
- ☆12Feb 28, 2020Updated 6 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago