CrySPY utility (optional)
Setting up Python environment in your local PC is useful to analyze CrySPY results. Utility tools (jupyter notebook and python scripts) are available for analysis and visualization. Input examples are also included in CrySPY utility.
See also cryspy_utility
You need several Python libraries such as
Download CrySPY utility
$ git clone https://github.com/Tomoki-YAMASHITA/CrySPY_utility.git
Go to CrySPY utility and click green
Code button, then choose
When you use Bayesian optimization, compile
cal_fingerpirnt program which calculates structure descriptors.
A Fortran compiler is needed.
Install in the environment where CrySPY is used, such as a workstations and supercomputers.
See also Instllation/CrySPY.