☆36Feb 22, 2026Updated last week
Alternatives and similar repositories for symmetrix
Users that are interested in symmetrix are comparing it to the libraries listed below
Sorting:
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 6 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- ☆43Updated this week
- Compute neighbor lists for atomistic systems☆74Feb 27, 2026Updated last week
- ☆32Feb 2, 2026Updated last month
- Reproduction of CGCNN for predicting material properties☆23Updated this week
- Particle-mesh based calculations of long-range interactions in PyTorch☆76Feb 27, 2026Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆92Feb 23, 2026Updated last week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Jan 28, 2026Updated last month
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 4 months ago
- Collection of tutorials to use the MACE machine learning force field.☆53Jan 22, 2026Updated last month
- MESS: Modern Electronic Structure Simulations☆43Sep 26, 2025Updated 5 months ago
- tools for graph-based machine-learning potentials in jax☆26Apr 9, 2024Updated last year
- ☆12May 10, 2024Updated last year
- ☆20Dec 11, 2024Updated last year
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆49Feb 26, 2026Updated last week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 4 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆56Feb 23, 2026Updated last week
- dataset augmentation for atomistic machine learning☆23Nov 21, 2025Updated 3 months ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Tools for machine learnt interatomic potentials☆44Feb 21, 2026Updated 2 weeks ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Nov 10, 2025Updated 3 months ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆82Jan 7, 2026Updated 2 months ago
- Machine Learned Interatomic Potential Tools☆24Updated this week
- Efficient misspecification uncertainties for linear regression☆16Feb 19, 2026Updated 2 weeks ago
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated 8 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆25Jan 20, 2026Updated last month
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- ☆31Updated this week
- ☆22Mar 18, 2024Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs☆55Nov 26, 2025Updated 3 months ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆130Feb 26, 2026Updated last week
- Tools for geometric learning☆12Sep 26, 2025Updated 5 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Sep 22, 2025Updated 5 months ago
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year