sliutheorygroup / UniPeroLinks
☆12Updated 8 months ago
Alternatives and similar repositories for UniPero
Users that are interested in UniPero are comparing it to the libraries listed below
Sorting:
- ☆99Updated 11 months ago
- ☆71Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated 3 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆93Updated last week
- ☆14Updated last month
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆27Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆46Updated 2 months ago
- ☆106Updated 3 weeks ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆67Updated 3 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 8 months ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last week
- ☆44Updated 7 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆29Updated 5 months ago
- A... M... L...☆51Updated 3 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆84Updated last week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆66Updated 2 weeks ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- Tutorials related to GPUMD☆63Updated last month
- Anharmonic Lattice Dynamics☆162Updated last week
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆41Updated 3 weeks ago
- A python library for calculating materials properties from the PES☆125Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆129Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆108Updated last week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- ☆70Updated 7 months ago
- ASE interface for fully constant potential with VASP☆40Updated last year