libAtoms / QUIPLinks
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
☆368Updated 3 months ago
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☆268Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆173Updated 3 weeks ago
- n2p2 - A Neural Network Potential Package☆238Updated 5 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆294Updated last week
- A Python package for manipulating atomistic data of software in computational science☆215Updated this week
- C library for finding and handling crystal symmetries☆329Updated this week
- DFTB+ general package for performing fast atomistic simulations☆381Updated this week
- An open-source Python package for creating fast and accurate interatomic potentials.☆333Updated 3 months ago
- Materials science with Python at the atomic-scale☆216Updated last month
- A code to generate atomic structure with symmetry☆331Updated 3 weeks ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆257Updated 3 weeks ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆195Updated 2 weeks ago
- Tool to build force field input files for molecular simulation☆176Updated 6 months ago
- Solvation model for the plane wave DFT code VASP.☆158Updated last year
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆258Updated last year
- LAMMPS inputs and data files☆265Updated 10 months ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆443Updated last month
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆356Updated last week
- Packmol - Initial configurations for molecular dynamics simulations☆298Updated last week
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆229Updated last month
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- Heavyweight plotting tools for ab initio calculations☆227Updated 3 months ago
- Atomic interaction potentials based on artificial neural networks☆119Updated last week
- Ab initio simulator for thermal transport and lattice anharmonicity☆175Updated 3 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆206Updated this week
- atomate2 is a library of computational materials science workflows☆238Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆426Updated 3 weeks ago
- ☆224Updated 5 years ago
- A Python library for electronic structure pre/post-processing☆188Updated this week