wengroup / matten
MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
☆36Updated 2 months ago
Alternatives and similar repositories for matten:
Users that are interested in matten are comparing it to the libraries listed below
- Quick Uncertainty and Entropy via STructural Similarity☆36Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆56Updated last week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆24Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 10 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆22Updated 2 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆17Updated 4 months ago
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆23Updated last month
- Python interface for the zeo++ package☆9Updated 7 months ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆12Updated last year
- ☆21Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆32Updated last year
- The Element Movers Distance for chemical composition similarity☆34Updated 3 weeks ago
- ☆25Updated 11 months ago
- Phonons from ML force fields☆18Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆41Updated this week
- Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics☆56Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆20Updated this week
- ☆16Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆21Updated last month
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 5 months ago
- ☆16Updated 2 weeks ago
- Random symmetric initialization of crystals☆21Updated 7 years ago
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- An ecosystem for digital reticular chemistry☆47Updated 7 months ago
- ☆66Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆76Updated this week
- zeo++ fork of the LSMO☆13Updated 2 years ago
- Library for Crystal Symmetry in Rust☆46Updated this week
- Active Learning for Machine Learning Potentials☆54Updated 10 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 8 months ago