Spacier

Spacier is a Python package providing tools for data exploration and analysis of molecular spatial data, particularly in the field of polymers. In this package, various sampling methods, such as Expected Improvement (EI), Probability of Improvement (PI), and Expected Hypervolume Improvement (EHVI), and optimization techniques, including Bayesian Optimization (BO), are available. After the calculation, Spacier prepares the submission scripts of computational jobs for RadonPy simulations to various queuing systems.