CitrineInformatics / loloLinks
A random forest
☆48Updated 11 months ago
Alternatives and similar repositories for lolo
Users that are interested in lolo are comparing it to the libraries listed below
Sorting:
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆41Updated 10 months ago
- Training materials☆22Updated 6 years ago
- Phoenics: Bayesian optimization for efficient experiment planning☆95Updated 6 years ago
- ☆16Updated 4 years ago
- A brain for self-driving laboratories☆46Updated 8 months ago
- ☆58Updated 2 years ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆11Updated 4 months ago
- Course materials for "Applied AI for Materials Science and Engineering"☆72Updated 3 years ago
- Agent-based sequential learning software for materials discovery☆62Updated 2 years ago
- polygon (ring network) discovery from XYZ files☆10Updated 9 years ago
- A library to interface molecules and machine learning.☆62Updated 6 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆22Updated 2 years ago
- ☆63Updated 3 years ago
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- Quantum mechanical descriptor generation☆55Updated 5 years ago
- ML4Chem: Machine Learning for Chemistry and Materials☆100Updated last year
- Statistical models to predict new materials☆14Updated 2 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆91Updated last year
- Reference implementation in python for Citrination api☆14Updated 4 years ago
- Predict materials properties using only the composition information!☆120Updated 2 years ago
- A package for density functional approximation using machine learning.☆27Updated 5 years ago
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆128Updated 3 months ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆91Updated 3 weeks ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆68Updated 2 months ago
- ☆43Updated 10 months ago
- hierachical automation of the natural sciences☆23Updated 11 months ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Updated last year
- The materials for the Spring Mathematics in Materials course at the UTK MSE☆50Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- Optimising chemical reactions using machine learning☆139Updated last year