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:
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆13Updated 7 years ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆43Updated 3 weeks ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- materialsvirtuallab / 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
- Interatomic potential creating using DFT training data.☆27Updated 6 years ago
- ☆18Updated 7 years ago
- High-throughput DFT of MOFs using ASE/VASP☆29Updated 2 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Some examples of using pymatgen code☆23Updated last year
- ☆17Updated 4 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 7 months ago
- high dimensional neural network potential☆22Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Generating Deep Potential with Python☆70Updated last week
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 8 months ago
- LAMMPS plugin for AiiDA☆26Updated last week
- Generate random alloys and compute various properties☆61Updated 11 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated this week
- Tutorials for DeepModeling projects.☆15Updated 7 months ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆38Updated 4 years ago
- potfit force-matching code☆42Updated last year