CitrineInformatics / lolo
A random forest
☆41Updated this week
Related projects ⓘ
Alternatives and complementary repositories for lolo
- ☆15Updated 2 years ago
- A brain for self-driving laboratories☆27Updated last year
- Training materials☆22Updated 4 years ago
- polygon (ring network) discovery from XYZ files☆10Updated 8 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆38Updated last month
- Agent-based sequential learning software for materials discovery☆60Updated 9 months ago
- Distributed representations of atoms, inspired by the Skip-gram model☆24Updated last year
- Course materials for "Applied AI for Materials Science and Engineering"☆59Updated 2 years ago
- hierachical automation of the natural sciences☆20Updated 11 months ago
- Phoenics: Bayesian optimization for efficient experiment planning☆90Updated 5 years ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆43Updated last week
- Materials Design by Monte Carlo Tree Search☆34Updated 2 years ago
- The architector python package - for 3D metal complex design. C22085☆39Updated last week
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆16Updated 9 months ago
- ☆51Updated last year
- Generative deep learning model for inorganic materials☆16Updated last year
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆81Updated 10 months ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated last year
- ☆18Updated 4 years ago
- A library to interface molecules and machine learning.☆65Updated 5 years 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
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆39Updated 3 months ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆34Updated this week
- ☆17Updated last week
- open data sets for machine learning pertaining to porous materials☆24Updated 11 months ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Updated 2 years ago
- Alchemical machine learning interatomic potentials☆13Updated 2 weeks ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆25Updated 7 months ago
- ☆24Updated last year
- plug-n-play black box optimizer for high-throughput computing☆43Updated last year