Heat-conductivity benchmark test for foundational machine-learning potentials
☆31Jun 28, 2026Updated 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonons from ML force fields☆24Mar 22, 2026Updated 6 months ago
- ☆21Updated this week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Tensor Atomic/Edge Cluster Expansion☆72Updated this week
- ☆18Feb 26, 2026Updated 7 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.
- ☆12Sep 21, 2026Updated 3 weeks ago
- Tools for machine learnt interatomic potentials☆51Updated this week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆108Jan 28, 2026Updated 8 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Updated this week
- ☆28Aug 20, 2025Updated last year
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆254Oct 3, 2026Updated last week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Sep 3, 2026Updated last month
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26Sep 1, 2026Updated last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 11 months ago
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated last month
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 3 months ago
- A python library for calculating materials properties from the PES☆157Updated this week