atomly-materials-research-lab / GPTFF
GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
☆48Updated last week
Alternatives and similar repositories for GPTFF:
Users that are interested in GPTFF are comparing it to the libraries listed below
- ☆47Updated 11 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆31Updated 2 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆26Updated 2 weeks ago
- ☆36Updated 5 months ago
- ASE interface for fully constant potential with VASP☆31Updated 5 months ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆24Updated 6 months ago
- ☆57Updated 3 months ago
- A python interface of NEP☆50Updated 3 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated 2 weeks ago
- Defect structure-searching employing chemically-guided bond distortions☆88Updated last month
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆56Updated 5 years ago
- Code for automated fitting of machine learned interatomic potentials.☆71Updated last week
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- ☆25Updated 2 years 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…☆53Updated 5 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆46Updated this week
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆21Updated 9 months ago
- 新生入学培训资料