simonverret / materials_data_api_scriptsLinks
scripts to load all data from ICSD, Materials Project, and OQMD
☆65Updated 2 years ago
Alternatives and similar repositories for materials_data_api_scripts
Users that are interested in materials_data_api_scripts are comparing it to the libraries listed below
Sorting:
- GRACE models and gracemaker (as implemented in TensorPotential package)☆73Updated 2 weeks ago
- ☆69Updated 2 years ago
- Statistical Mechanics on Lattices☆88Updated last week
- ☆65Updated 5 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- ☆52Updated 11 months ago
- A... M... L...☆50Updated 3 years ago
- Defect structure-searching employing chemically-guided bond distortions☆106Updated last month
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 3 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- ☆94Updated 10 months ago
- Wyckoff Inorganic Crystal Generator Framework☆24Updated 6 months ago
- Python package to analyse the structural dynamics of perovskites☆44Updated last month
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 6 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆40Updated last week
- A python library for calculating materials properties from the PES☆121Updated this week
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆84Updated 2 weeks ago
- ☆44Updated 7 years ago
- ☆94Updated this week
- ASE interface for fully constant potential with VASP☆36Updated 11 months ago
- ☆61Updated 4 years ago
- ☆31Updated 2 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆125Updated this week
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- ☆62Updated 9 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year