CompRhys / aviaryLinks
The Wren sits on its Roost in the Aviary.
☆56Updated 2 months ago
Alternatives and similar repositories for aviary
Users that are interested in aviary are comparing it to the libraries listed below
Sorting:
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated 10 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆44Updated this week
- Active Learning for Machine Learning Potentials☆55Updated last year
- ☆21Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 9 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 3 years ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated last year
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆18Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- ☆26Updated last year
- ☆22Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆34Updated 3 months ago
- Statistical Mechanics on Lattices☆82Updated last week
- Wyckoff Inorganic Crystal Generator Framework☆21Updated 3 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆58Updated last week
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆61Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- ☆67Updated 2 years ago
- ☆32Updated 4 years ago
- ☆28Updated 3 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Random symmetric initialization of crystals☆21Updated 7 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- python workflow toolkit☆39Updated 4 months ago
- A python library for calculating materials properties from the PES☆93Updated last week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆29Updated last year
- graph2mat: Graph to matrix conversion☆13Updated last week