Atomistic machine learning models you can use everywhere for everything
☆45Jul 17, 2026Updated this week
Alternatives and similar repositories for metatomic
Users that are interested in metatomic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆75Updated this week
- ☆18Feb 26, 2026Updated 4 months ago
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆76Apr 5, 2026Updated 3 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆97Jul 13, 2026Updated last week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Compute neighbor lists for atomistic systems☆83Jul 9, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆105Jul 10, 2026Updated last week
- Universal machine-learning models for advanced atomistic simulations☆223Jul 9, 2026Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆63Apr 1, 2026Updated 3 months ago
- A foundational potential energy dataset for materials☆57Jul 1, 2026Updated 2 weeks ago
- A universal ML model to predict molecular dynamics trajectories with long time steps☆55Jul 5, 2026Updated 2 weeks ago
- Tools for machine learnt interatomic potentials☆49Updated this week
- ☆16Apr 22, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ML potentials via transfer learning☆29Updated this week
- Library for Crystal Symmetry in Rust☆76Updated this week
- train and use graph-based ML models of potential energy surfaces☆127Jul 13, 2026Updated last week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆260Jul 12, 2026Updated last week
- ☆11Sep 16, 2024Updated last year
- Generate symmetrized force constants☆29Jul 14, 2026Updated last week
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Updated this week
- Point Edge Transformer☆35Sep 28, 2025Updated 9 months ago
- Cross-platform Optimizer for ML Interatomic Potentials☆24Aug 31, 2025Updated 10 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆121Jun 30, 2026Updated 2 weeks ago
- Torch-native, batchable, atomistic simulations.☆477Jul 7, 2026Updated last week
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated 9 months ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆227Apr 17, 2026Updated 3 months ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- Stable AutoCorrelation Integral Estimator☆17May 18, 2026Updated 2 months ago
- Code for automated fitting of machine learned interatomic potentials.☆152Jul 14, 2026Updated last week
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- jax library for E3 Equivariant Neural Networks☆233Apr 1, 2026Updated 3 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Computing representations for atomistic machine learning☆82Jun 25, 2026Updated 3 weeks ago
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs☆62May 27, 2026Updated last month
- ORB forcefield models from Orbital Materials☆605Jul 9, 2026Updated last week
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- ☆57Jun 16, 2026Updated last month
- MACE foundation models (MP, OMAT, mh-1)☆280Jul 12, 2026Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆161Updated this week