simonverret / materials_data_api_scripts
scripts to load all data from ICSD, Materials Project, and OQMD
☆55Updated 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
- GRACE models and gracemaker (as implemented in TensorPotential package)☆55Updated last week
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated last month
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- ☆66Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- ☆37Updated 6 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- ☆41Updated 6 years ago
- A... M... L...☆47Updated 3 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆27Updated last month
- Wyckoff Inorganic Crystal Generator Framework☆21Updated last month
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆24Updated 3 weeks ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- ☆9Updated 3 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆76Updated this week
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Active Learning for Machine Learning Potentials☆54Updated 10 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆26Updated 7 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆25Updated 11 months ago
- ASE interface for fully constant potential with VASP☆31Updated 5 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated 10 months ago
- TB3Py: Two- and three-body tight-binding calculations for materials☆17Updated 6 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆27Updated 11 months ago
- high dimensional neural network potential☆23Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆53Updated 5 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆36Updated last week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last week
- Visualize vibrational modes from VASP calculations☆40Updated 2 months ago
- A python library for calculating materials properties from the PES☆80Updated this week