30 dependents
| Package | Description | Downloads/month |
|---|---|---|
| MatterSim: A deep learning atomistic model across elements, temperatures and pre... | 418K | |
| Heavyweight plotting tools for ab initio calculations | 284K | |
| Euphonic is a Python package for efficient simulation of phonon bandstructures, ... | 17K | |
| TUI tool for rapid crystal structure prediction using MLIPs | 12K | |
| Tools for machine learnt interatomic potentials | 9K | |
| pyiron_atomistics - an integrated development environment (IDE) for atomistic si... | 9K | |
| A Python library for electronic structure pre/post-processing | 7K | |
| Phonon anharmonicity analysis from molecular dynamics | 6K | |
| do the performance test of ABACUS | 5K | |
| Spin space group (SSG) symmetry analysis toolkit for magnetic materials. Automat... | 3K | |
| The official AiiDA plugin for Phonopy | 2K | |
| AiiDA plugin of the high-performance density functional theory code JuKKR (www.j... | 2K | |
| A plugin to AiiDA for running simulations with VASP | 2K | |
| A package for creating and handling input files for vasp | 2K | |
| APEX: Alloy Properties EXplorer using simulations | 1K | |
| A Jupyter widget to show the Brillouin zone of periodic crystals. | 960 | |
| Quantum Espresso automation tool | 871 | |
| Quantum Espresso automation tool | 867 | |
| Crystal Orbital Guided Iteration To atomic-Orbitals (COGITO) finds an adaptive a... | 862 | |
| LAMMPS interface for phonon calculations using phonopy | 796 | |
| A quick post-process for resolve or assistant the VASP calculations | 751 | |
| 529 | ||
| CLI based code for processing VASP calculations | 516 | |
| Source code for the AiiDA-Siesta package (plugin and workflows). See wiki | 441 | |
| DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio acc... | 413 | |
| Collective atomic modulation analysis with irreducible space-group representatio... | 336 | |
| Tools to convert phonon visualization data into a web-friendly format. | 175 | |
| Foundation libraries of the PULGON project | 113 | |
| Haber Institute Lattice Dynamics Environment | 89 | |
| Heavy weight plotting tools for ab initio solid-state calculations | 67 |
