mohanliu / qmpy_resterLinks
A toolkit for querying data in OQMD.
☆22Updated 4 years ago
Alternatives and similar repositories for qmpy_rester
Users that are interested in qmpy_rester are comparing it to the libraries listed below
Sorting:
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- ☆72Updated 2 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Updated 3 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Updated 6 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆44Updated 10 months ago
- ☆26Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated 2 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆69Updated last year
- Defect analysis modules for pymatgen☆61Updated this week
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Updated last year
- High-throughput DFT of MOFs using ASE/VASP☆29Updated 2 years ago
- ASE interface for fully constant potential with VASP☆42Updated last year
- ☆45Updated 7 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- URL links to phonondb data☆33Updated 2 months ago
- ☆60Updated last year
- ☆66Updated 4 years ago
- Generate random alloys and compute various properties☆64Updated last year
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- A... M... L...☆53Updated 3 years ago
- ☆73Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Grand canonical optimization of grain boundary phases.☆30Updated 7 months ago
- MatDeepLearn for DOS prediction☆26Updated 3 years ago