MPA2suite / k_SRMELinks
Heat-conductivity benchmark test for foundational machine-learning potentials
☆29Updated 3 months ago
Alternatives and similar repositories for k_SRME
Users that are interested in k_SRME are comparing it to the libraries listed below
Sorting:
- Phonons from ML force fields☆23Updated 4 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- ☆29Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated this week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- OVITO Python modifier to compute the Warren-Cowley parameters.☆36Updated 7 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆24Updated last month
- MACE_Osaka24 models☆21Updated 10 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated last month
- Grand canonical optimization of grain boundary phases.☆29Updated 6 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆78Updated 3 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated last week
- Tools for machine learnt interatomic potentials☆39Updated this week
- A flexible workflow for on-the-fly learning of interatomic potential models.☆31Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- Cross-platform Optimizer for ML Interatomic Potentials☆20Updated 2 months ago
- ☆69Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.