wcwitt / symmetrixLinks
☆18Updated last month
Alternatives and similar repositories for symmetrix
Users that are interested in symmetrix are comparing it to the libraries listed below
Sorting:
- JAX implementation of the NequIP neural network interatomic potential☆11Updated last month
- CUDA implementations of MACE models☆15Updated 5 months ago
- ☆21Updated 2 weeks ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 8 months ago
- ☆21Updated last year
- dataset augmentation for atomistic machine learning☆19Updated 2 weeks ago
- MESS: Modern Electronic Structure Simulations☆32Updated last week
- Alchemical machine learning interatomic potentials☆29Updated 8 months ago
- ☆22Updated 2 months ago
- tools for graph-based machine-learning potentials in jax☆25Updated last year
- Compute neighbor lists for atomistic systems☆53Updated this week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆11Updated 2 weeks ago
- Reproduction of CGCNN for predicting material properties☆21Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆45Updated 3 weeks ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆25Updated this week
- MACE_Osaka24 models☆15Updated 6 months ago
- Tools for machine learnt interatomic potentials☆33Updated last week
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated this week
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 10 months ago
- ☆23Updated last year
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Updated last month
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated 8 months ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- Atomistic machine learning models you can use everywhere for everything☆15Updated this week
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆58Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated 11 months ago
- ☆19Updated 2 weeks ago
- ☆26Updated this week
- Training Neural Network potentials through customizable routines in JAX.☆36Updated 3 weeks ago
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆44Updated this week