CompRhys / aviary
The Wren sits on its Roost in the Aviary.
☆55Updated 2 weeks ago
Alternatives and similar repositories for aviary:
Users that are interested in aviary are comparing it to the libraries listed below
- Collection of tutorials to use the MACE machine learning force field.☆46Updated 7 months ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆41Updated 8 months ago
- ☆28Updated 3 years ago
- ☆32Updated 4 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆42Updated this week
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- ☆21Updated last year
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Active Learning for Machine Learning Potentials☆55Updated 11 months ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆39Updated this week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆36Updated 11 months ago
- python workflow toolkit☆39Updated 2 months ago
- Official implementation of DeepDFT model☆75Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated 2 months ago
- ☆73Updated this week
- 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
- ☆22Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆56Updated last month
- ☆26Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentials☆18Updated 9 months ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆41Updated this week
- ☆25Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆76Updated this week
- ☆24Updated 8 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆72Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆38Updated 2 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago