ML-Materials-Standards / ml-materials-checklistLinks
☆34Updated 10 months ago
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:
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- Collection of tutorials to use the MACE machine learning force field.☆48Updated 11 months ago
- Active Learning for Machine Learning Potentials☆56Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆45Updated last month
- ☆24Updated 2 weeks ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆52Updated 3 years ago
- Alchemical machine learning interatomic potentials☆29Updated 9 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated last week
- The architector python package - for 3D metal complex design. C22085☆64Updated 2 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆93Updated last week
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 6 months ago
- dataset augmentation for atomistic machine learning☆20Updated last month
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated this week
- python workflow toolkit☆42Updated last week
- MACE_Osaka24 models☆17Updated 8 months ago
- Sparse Gaussian Process Potentials☆27Updated 5 months ago
- UF3: a python library for generating ultra-fast interatomic potentials☆68Updated 2 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year
- Create atomistic structures with ASE, rdkit and packmol☆15Updated last week
- OVITO Python modifier to compute the Warren-Cowley parameters.☆29Updated 4 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated last week
- The Wren sits on its Roost in the Aviary.☆59Updated 2 weeks ago
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated last month
- Tools for machine learnt interatomic potentials☆33Updated last week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆19Updated last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- ☆67Updated 2 years ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆40Updated 2 months ago