BingqingCheng / MLP-highP-HLinks
☆17Updated 4 years ago
Alternatives and similar repositories for MLP-highP-H
Users that are interested in MLP-highP-H are comparing it to the libraries listed below
Sorting:
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 7 months ago
- Tracking citations of atomistic simulation engines☆26Updated last week
- A PyMOL plugin for visualizing vibrations in molecules and solids☆43Updated 2 weeks ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- Tutorials showcasing various capabilities of Libra☆24Updated 2 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- ☆18Updated 7 years ago
- Tool for finding atomic environments in crystal structures☆22Updated 5 months ago
- Active Learning for Machine Learning Potentials☆59Updated 2 months ago
- ☆18Updated 4 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 8 months ago
- ☆22Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated last month
- ☆27Updated 2 months ago
- Random symmetric initialization of crystals☆23Updated 7 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- Collection of tutorials to use the MACE machine learning force field.☆48Updated last year
- ☆69Updated 2 years ago
- An interactive viewer☆14Updated 5 years ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆40Updated 2 weeks ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 7 months ago
- Tutorial exercises for the OPTIMADE API☆16Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated 2 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆20Updated 8 months ago