atomly-materials-research-lab / GPTFFLinks
GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
☆60Updated 4 months ago
Alternatives and similar repositories for GPTFF
Users that are interested in GPTFF are comparing it to the libraries listed below
Sorting:
- ASE interface for fully constant potential with VASP☆35Updated 9 months ago
- ☆57Updated 3 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆34Updated 4 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated last month
- ☆47Updated 9 months ago
- A python interface of NEP☆57Updated 7 months ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆29Updated 2 months ago
- ☆67Updated 2 years ago
- cp2k postprocessing tools☆68Updated 2 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- ☆42Updated 7 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆68Updated this week
- scripts to load all data from ICSD, Materials Project, and OQMD☆63Updated 2 years ago
- Tutorials related to GPUMD☆41Updated 3 months ago
- Code for automated fitting of machine learned interatomic potentials.☆86Updated this week
- Deep Potential Evolution Accelerator☆18Updated last week
- Fine-tuning and distillation workflow for pretrained atomic potentials☆23Updated 3 months ago
- A Toolkit for GPUMD&NEP☆37Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- ☆28Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated last month
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆71Updated last week
- A flexible workflow for on-the-fly learning of interatomic potential models.☆30Updated 3 weeks 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…☆55Updated 6 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- ☆60Updated 4 years ago
- LASP python library including scripts and auto-NNtrain workflow☆20Updated last year
- ☆60Updated 7 months ago