A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
β75Mar 31, 2026Updated last week
Alternatives and similar repositories for MatterTune
Users that are interested in MatterTune are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β95Mar 27, 2026Updated 2 weeks ago
- Adds Orb Model functionality to LAMMPS via Python wrappingβ15Apr 1, 2025Updated last year
- Chemical intuition for surface science in a package.β58Mar 30, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.β142Mar 9, 2026Updated last month
- train and use graph-based ML models of potential energy surfacesβ122Mar 9, 2026Updated last month
- Wordpress hosting with auto-scaling on Cloudways β’ AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditionsβ33Apr 8, 2024Updated 2 years ago
- Alchemical machine learning interatomic potentialsβ34Nov 8, 2024Updated last year
- Library for Crystal Symmetry in Rustβ70Updated this week
- Code for βFrom Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Predictionβ.β62Oct 22, 2024Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.β18Oct 19, 2025Updated 5 months ago
- ML potentials via transfer learningβ26Mar 29, 2026Updated last week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput executionβ¦β13Apr 8, 2024Updated 2 years ago
- Phonons from ML force fieldsβ23Mar 22, 2026Updated 2 weeks ago
- GRACE models and gracemaker (as implemented in TensorPotential package)β89Mar 6, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean β’ AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Tools for machine learnt interatomic potentialsβ44Mar 20, 2026Updated 3 weeks ago
- Reproduction of CGCNN for predicting material propertiesβ24Updated this week
- β64Nov 25, 2024Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulationβ98Sep 20, 2025Updated 6 months ago
- Efficient And Fully Differentiable Extended Tight-Bindingβ123Mar 26, 2026Updated 2 weeks ago
- A python library for calculating materials properties from the PESβ136Updated this week
- Random symmetric initialization of crystalsβ25Jan 6, 2018Updated 8 years ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPβ¦β101Jan 28, 2026Updated 2 months ago
- A molecular simulation package integrating MLFFs in MOFs for DACβ44Oct 17, 2025Updated 5 months ago
- Managed Database hosting by DigitalOcean β’ AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Torch-native, batchable, atomistic simulations.β441Apr 2, 2026Updated last week
- Force-field-enhanced Neural Networks optimized libraryβ84Apr 3, 2026Updated last week
- A collection of simulation recipes for the atomic-scale modeling of materials and moleculesβ47Mar 30, 2026Updated last week
- β47Updated this week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potentialβ60Sep 26, 2025Updated 6 months ago
- A toolkit for visualizations in materials informatics.β308Updated this week
- MCMC-based algorithm for sampling surface reconstructionsβ41Mar 1, 2026Updated last month
- β299Mar 22, 2026Updated 2 weeks ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materialsβ71Feb 21, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Heat-conductivity benchmark test for foundational machine-learning potentialsβ30Jan 29, 2026Updated 2 months ago
- NequIP extension package that adapts the Allegro equivariant GNN architecture to predict the electric response of materialsβ36Mar 19, 2026Updated 3 weeks ago
- atomate2 is a library of computational materials science workflowsβ293Updated this week
- MACE foundation models (MP, OMAT, mh-1)β221Feb 23, 2026Updated last month
- An evaluation framework for machine learning models simulating high-throughput materials discovery.β218Updated this week
- Universal interatomic potentials for advanced materials modelingβ195Mar 31, 2026Updated last week
- Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermiβ¦β317Apr 4, 2026Updated last week