CitrineInformatics / lolo
A random forest
☆41Updated last month
Alternatives and similar repositories for lolo:
Users that are interested in lolo are comparing it to the libraries listed below
- Training materials☆22Updated 5 years ago
- ☆15Updated 2 years ago
- Phoenics: Bayesian optimization for efficient experiment planning☆91Updated 5 years ago
- A brain for self-driving laboratories☆28Updated last week
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆38Updated 3 months ago
- ☆54Updated last year
- A library to interface molecules and machine learning.☆65Updated 5 years ago
- Agent-based sequential learning software for materials discovery☆60Updated 11 months ago
- polygon (ring network) discovery from XYZ files☆10Updated 8 years ago
- Materials Design by Monte Carlo Tree Search☆34Updated 3 years ago
- A package for density functional approximation using machine learning.☆24Updated 4 years ago
- A collection of tools and databases for atomistic machine learning☆46Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆32Updated 2 months ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆39Updated 5 months ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated last year
- Distributed representations of atoms, inspired by the Skip-gram model☆25Updated last year
- Course materials for "Applied AI for Materials Science and Engineering"☆59Updated 2 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆84Updated last month
- ☆27Updated last year
- Predict materials properties using only the composition information!☆96Updated last year
- ☆38Updated 11 months ago
- TFN layers built using Tensorflow 2☆12Updated 3 years ago
- ☆61Updated 2 years ago
- Statistical models to predict new materials☆14Updated last year
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated last year
- Inorganic Reaction Prediction☆12Updated 5 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.☆35Updated last year
- plug-n-play black box optimizer for high-throughput computing☆43Updated last year
- ☆14Updated 2 years ago
- A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.☆10Updated 11 months ago