deepmodeling / tutorialsLinks
Tutorials for DeepModeling projects.
☆15Updated 2 months ago
Alternatives and similar repositories for tutorials
Users that are interested in tutorials are comparing it to the libraries listed below
Sorting:
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆52Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆12Updated 3 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- A PyMOL plugin for visualizing vibrations in molecules and solids☆42Updated 8 months ago
- High-throughput DFT of MOFs using ASE/VASP☆28Updated 2 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Tools related to X-ray absorption spectroscopy (XAS)☆19Updated 11 months ago
- A simple walkthrough and template for NEB runs on VASP.☆16Updated 3 years ago
- ☆17Updated 4 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 11 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- ☆17Updated 4 years ago
- 2017-09-26 Linux source.☆13Updated 3 years ago
- add the influence of external field to REANN model☆24Updated 9 months ago
- ☆15Updated 2 years ago
- ☆20Updated last year
- ☆18Updated 6 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆29Updated last year
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆32Updated 3 months ago
- Tool for finding atomic environments in crystal structures☆21Updated last month
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated 3 weeks ago
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- Tutorials showcasing various capabilities of Libra☆23Updated 2 weeks ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆21Updated 2 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 months ago
- Metadynamics code on the G-space.☆14Updated 3 years ago