mohanliu / qmpy_resterLinks
A toolkit for querying data in OQMD.
☆19Updated 3 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:
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆38Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- ☆67Updated 2 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…☆71Updated last year
- ☆26Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- ☆44Updated 9 months ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- URL links to phonondb data☆31Updated 11 months ago
- ☆56Updated 4 years ago
- Generate random alloys and compute various properties☆56Updated 7 months ago
- ☆42Updated 7 years ago
- Defect analysis modules for pymatgen☆49Updated last week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆63Updated 2 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆23Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆54Updated 2 weeks ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- High-throughput DFT of MOFs using ASE/VASP☆28Updated 2 years ago
- ☆21Updated 4 years ago
- ☆54Updated 3 months ago
- ☆23Updated last year
- Some ongoing projects in Zhu's group☆28Updated last year
- A... M... L...☆50Updated 3 years ago
- An interactive viewer☆14Updated 5 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- ☆16Updated 2 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated last year