ulissigroup / GASpy_manuscriptLinks
☆13Updated 6 years ago
Alternatives and similar repositories for GASpy_manuscript
Users that are interested in GASpy_manuscript are comparing it to the libraries listed below
Sorting:
- ☆45Updated 7 years ago
- ☆75Updated 9 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆40Updated last month
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated 2 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆51Updated 3 months ago
- ☆42Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆44Updated 11 months ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- ☆62Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- ☆73Updated 2 years ago
- ☆11Updated 6 years ago
- ☆64Updated last year
- LAMMPS interface for phonon calculations using phonopy☆90Updated 3 months ago
- ☆24Updated 3 weeks ago
- ASE interface for fully constant potential with VASP☆42Updated last year
- 新生入学培训资料☆18Updated 3 years ago
- ☆30Updated last year
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Updated last year
- ☆36Updated 6 years ago
- ☆29Updated 2 weeks ago
- ☆30Updated last month
- A flexible workflow for on-the-fly learning of interatomic potential models.☆32Updated this week
- Python tools to handle CP2K output files☆46Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆65Updated 2 months ago
- ☆16Updated 5 years ago
- Python interface for VASP☆90Updated this week