ulissigroup / finetunaLinks
Active Learning for Machine Learning Potentials
☆63Updated last month
Alternatives and similar repositories for finetuna
Users that are interested in finetuna are comparing it to the libraries listed below
Sorting:
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated last month
- Quick Uncertainty and Entropy via STructural Similarity☆54Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆77Updated last week
- ☆72Updated 2 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆133Updated last week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆68Updated 3 weeks ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆91Updated 3 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆31Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆84Updated this week
- A flexible workflow for on-the-fly learning of interatomic potential models.☆31Updated last week
- ☆32Updated 2 months ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆37Updated 8 months ago
- ☆33Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- A python library for calculating materials properties from the PES☆128Updated last week
- ☆110Updated last week
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆29Updated 4 years ago
- Alchemical machine learning interatomic potentials☆32Updated last year
- A foundational potential energy dataset for materials☆49Updated 3 weeks ago
- Python package to analyse the structural dynamics of perovskites☆48Updated 4 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated 2 weeks ago
- ☆21Updated last year
- ☆24Updated last year
- A Python library and command line interface for automated free energy calculations☆86Updated this week