libAtoms / QUIPLinks
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
☆376Updated last month
Alternatives and similar repositories for QUIP
Users that are interested in QUIP are comparing it to the libraries listed below
Sorting:
- i-PI: a universal force engine☆281Updated 3 weeks ago
- n2p2 - A Neural Network Potential Package☆240Updated 8 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆303Updated 3 weeks ago
- A Python package for manipulating atomistic data of software in computational science☆237Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- DFTB+ general package for performing fast atomistic simulations☆401Updated last week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆202Updated last month
- An open-source Python package for creating fast and accurate interatomic potentials.☆340Updated 3 months ago
- C library for finding and handling crystal symmetries☆347Updated last week
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆371Updated last week
- Materials science with Python at the atomic-scale☆227Updated this week
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆271Updated last week
- A code to generate atomic structure with symmetry☆346Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- Phonon code☆443Updated this week
- Packmol - Initial configurations for molecular dynamics simulations☆317Updated last week
- Solvation model for the plane wave DFT code VASP.☆168Updated 2 months ago
- atomate2 is a library of computational materials science workflows☆258Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated this week
- LAMMPS inputs and data files☆286Updated last year
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆453Updated 2 months ago
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆237Updated last month
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆442Updated last week
- Tool to build force field input files for molecular simulation☆184Updated 9 months ago
- A Python library for electronic structure pre/post-processing☆195Updated 2 weeks ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- ☆228Updated 5 years ago
- LAMMPS tutorials for both beginners and advanced users☆128Updated 2 months ago
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆334Updated last month