CJBartel / TestStabilityMLLinks
☆26Updated 2 years ago
Alternatives and similar repositories for TestStabilityML
Users that are interested in TestStabilityML are comparing it to the libraries listed below
Sorting:
- The Element Movers Distance for chemical composition similarity☆36Updated 8 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated 3 weeks ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated last week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- Tutorial exercises for the OPTIMADE API☆17Updated 2 years ago
- Active Learning for Machine Learning Potentials☆62Updated 2 weeks ago
- The Wren sits on its Roost in the Aviary.☆61Updated last month
- ☆34Updated 3 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆14Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆89Updated 2 months ago
- Original implementation of CSPML☆28Updated 11 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 10 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆26Updated 8 months ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆76Updated 2 weeks ago
- ☆19Updated 8 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago