COBOL is a collection of chemistry oriented AI that combines cheminformatics with active learning via Bayesian optimization to accelerate materials discovery in large search space.
- Numpy
- Scipy
- Pandas
- Scikit-learn
- RDKit
Chemistry Oriented Bayesian Optimization Library
COBOL is a collection of chemistry oriented AI that combines cheminformatics with active learning via Bayesian optimization to accelerate materials discovery in large search space.
Chemistry Oriented Bayesian Optimization Library
MIT License