ML-Materials-Standards / ml-materials-checklistLinks
☆34Updated last year
Alternatives and similar repositories for ml-materials-checklist
Users that are interested in ml-materials-checklist are comparing it to the libraries listed below
Sorting:
- Collection of tutorials to use the MACE machine learning force field.☆49Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated this week
- ☆29Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- dataset augmentation for atomistic machine learning☆20Updated 4 months ago
- Alchemical machine learning interatomic potentials☆31Updated last year
- Tools for machine learnt interatomic potentials☆39Updated this week
- Cross-platform Optimizer for ML Interatomic Potentials☆20Updated 2 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 9 months ago
- MACE_Osaka24 models☆21Updated 10 months ago
- python workflow toolkit☆44Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆23Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated 3 weeks ago
- ⚛ download and manipulate atomistic datasets☆47Updated last month
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated 3 months ago
- Computing representations for atomistic machine learning☆74Updated last week
- ☆27Updated 4 months ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 8 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- Moment Invariants Local Atomic Descriptor☆33Updated last year
- UF3: a python library for generating ultra-fast interatomic potentials☆68Updated 5 months ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆40Updated last 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
- MCMC-based algorithm for sampling surface reconstructions☆37Updated last month