BingqingCheng / caceLinks
☆77Updated this week
Alternatives and similar repositories for cace
Users that are interested in cace are comparing it to the libraries listed below
Sorting:
- GRACE models and gracemaker (as implemented in TensorPotential package)☆58Updated last week
- ☆26Updated 2 weeks ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆51Updated 2 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆78Updated this week
- A Python software package for saddle point optimization and minimization of atomic systems.☆105Updated 8 months ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆45Updated 3 weeks ago
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 9 months ago
- ☆85Updated 7 months ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆38Updated 2 weeks ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆29Updated last week
- A... M... L...☆49Updated 3 years ago
- Active Learning for Machine Learning Potentials☆55Updated last year
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆44Updated this week
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆79Updated last month
- A foundational potential energy dataset for materials☆37Updated 2 weeks ago
- DeePMD-kit plugin for various graph neural network models☆46Updated this week
- ☆67Updated 2 years ago
- train and use graph-based ML models of potential energy surfaces☆97Updated last week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- add the influence of external field to REANN model☆24Updated 9 months ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- Official implementation of DeepDFT model☆79Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆32Updated 3 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆19Updated 10 months ago
- ☆59Updated 6 months ago
- Efficient And Fully Differentiable Extended Tight-Binding☆94Updated 2 weeks ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆52Updated last week