QuantumMisaka / dpevaLinks
Deep Potential Evolution Accelerator
☆18Updated 3 weeks ago
Alternatives and similar repositories for dpeva
Users that are interested in dpeva are comparing it to the libraries listed below
Sorting:
- ☆12Updated last month
- A flexible workflow for on-the-fly learning of interatomic potential models.☆30Updated 3 weeks ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated last month
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆34Updated 4 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated last year
- Tutorials related to GPUMD☆41Updated 3 months ago
- LASP python library including scripts and auto-NNtrain workflow☆20Updated last year
- add the influence of external field to REANN model☆24Updated 10 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- ASE interface for fully constant potential with VASP☆35Updated 9 months ago
- ☆67Updated 2 years ago
- ☆42Updated 7 years ago
- ☆88Updated last week
- ☆60Updated 7 months ago
- A Toolkit for GPUMD&NEP☆37Updated this week
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆19Updated 2 years ago
- ☆10Updated 4 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- ☆29Updated last year
- A... M... L...☆50Updated 3 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆60Updated 4 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆65Updated last month
- A python interface of NEP☆57Updated 7 months ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Updated last month
- ☆12Updated 9 months ago
- Fine-tuning and distillation workflow for pretrained atomic potentials☆23Updated 3 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆54Updated last month
- Code for automated fitting of machine learned interatomic potentials.☆86Updated this week
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 5 months ago