jboes / amp-tutorialLinks
☆11Updated 9 years ago
Alternatives and similar repositories for amp-tutorial
Users that are interested in amp-tutorial 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
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Updated 4 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Updated 3 months ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- ☆19Updated 7 years ago
- ☆44Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆41Updated this week
- Tutorials for DeepModeling projects.☆15Updated 10 months ago
- A software for automating materials science computations☆33Updated 3 months ago
- materialyzeai / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 5 years ago
- Generating Deep Potential with Python☆72Updated last week
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Updated 6 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆17Updated 3 years ago
- ☆30Updated 3 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated 2 years ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆23Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆44Updated 11 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆40Updated last month
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 4 years ago
- ☆46Updated 5 years ago
- ☆17Updated 5 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 7 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- potfit force-matching code☆42Updated last year
- ☆51Updated this week
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆40Updated this week
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago