Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
☆258Oct 22, 2026Updated last week
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☆93May 11, 2026Updated 5 months ago
- Public development project of the LAMMPS MD software package☆3,113Updated this week
- Atomistic Manipulation Toolkit☆35Sep 23, 2026Updated last month
- A grain boundary generation code☆88Sep 12, 2023Updated 3 years ago
- Materials science with Python at the atomic-scale☆249Updated this week
- 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.
- pyiron - an integrated development environment (IDE) for computational materials science.☆467Oct 13, 2025Updated last year
- Beginner LAMMPS tutorials in Jupyter notebooks — lattice energy, tension and compression, grain boundaries, fracture, and polymer chains☆503Jul 19, 2026Updated 3 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆404Aug 22, 2026Updated 2 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆189Oct 17, 2025Updated last year
- n2p2 - A Neural Network Potential Package☆244Updated this week
- LAMMPS inputs and data files☆310Oct 9, 2024Updated 2 years ago
- Atomify - a realtime LAMMPS visualizer☆162Oct 19, 2022Updated 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 scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 4 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.
- Heavyweight plotting tools for ab initio calculations☆261Sep 3, 2026Updated last month
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆205Oct 22, 2026Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.☆365Sep 28, 2026Updated last month
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 8 months ago
- ☆40Oct 8, 2019Updated 7 years ago
- Graphics Processing Units Molecular Dynamics☆859Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆467Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆169Sep 25, 2026Updated last month
- p4vasp, the VASP Visualization Tool☆159May 21, 2022Updated 4 years ago
- 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.
- Ab initio simulator for thermal transport and lattice anharmonicity☆208Oct 14, 2026Updated 2 weeks ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆324Nov 17, 2025Updated 11 months ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆403Aug 25, 2025Updated last year
- LAMMPS interface for phonon calculations using phonopy☆96Nov 5, 2025Updated 11 months ago
- A book on modeling materials using VASP, ase and vasp☆467Oct 20, 2026Updated last week
- VSCODE extension for language support of LAMMPS scripts☆58Oct 22, 2026Updated last week
- Manipulating VASP files with Python.☆303May 15, 2026Updated 5 months ago
- A Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 2 weeks ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆56Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- i-PI: a universal force engine☆322Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆264Jul 18, 2024Updated 2 years ago
- atomate2 is a library of computational materials science workflows☆358Updated this week
- Atomic interaction potentials based on artificial neural networks☆129Oct 11, 2026Updated 2 weeks ago
- A Python package for manipulating atomistic data of software in computational science☆255Updated this week
- Phonon code☆505Updated this week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆2,003Updated this week