AuroraLHT / cryspnet
☆20Updated 2 years ago
Alternatives and similar repositories for cryspnet:
Users that are interested in cryspnet are comparing it to the libraries listed below
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- Original implementation of CSPML☆24Updated 3 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 8 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated 3 weeks ago
- Mirror of http://zeoplusplus.org/☆9Updated 6 years ago
- ☆27Updated last year
- The Element Movers Distance for chemical composition similarity☆33Updated last week
- The latest stable release for the crystal structure prediction code FUSE☆12Updated 2 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆25Updated 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
- Practical guide on how to use VASP☆19Updated 4 years ago
- ☆26Updated 3 years ago
- Inorganic Reaction Prediction☆12Updated 8 months ago
- ☆16Updated 7 years ago
- LAMMPS plugin for AiiDA☆25Updated this week
- ☆20Updated last year
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Metadynamics code on the G-space.☆14Updated 3 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 8 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆40Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆35Updated last year
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆18Updated 6 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆40Updated this week
- zeo++ fork of the LSMO☆12Updated 2 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 …☆16Updated last year
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆54Updated 2 years ago