Examples for pyCRS/PLAMS
************************

* pyCRS : Basic usage for Database and CRSManager

  * Adding compound to a pyCRS database

  * Activity coefficient calculation

  * Solid Solubility calculation

  * Establishment of a pyCRS database from the ADFCRS-2018 database

* pyCRS : Conformer usage for Database and CRSManager

  * Generating multiple conformers for a compound

  * Adding conformers to the database

  * Activity coefficient calculation considering conformers

* pyCRS : Basic usage for PropPred and FastSigma

  * Basic usage

  * Temperature-dependent properties

  * Estimating multiple properties

  * Calculating sigma profiles with all models

* Examples using PLAMS

  * Partition coefficient

  * Binary mixture

  * Solid solubility

* Advanced scripting examples with PLAMS/pyCRS

  * Changing the default parameters or re-parameterizing the COSMO-
    RS/-SAC methods

  * Solubility screening for solid solute

  * Screening for cocrystals

  * Regression of NRTL parameters

  * Automated screening of ionic liquids

  * Calculating and estimating sigma profiles

  * Sigma Moments

  * Eutectic systems

  * Binodal and Spinodal Curves

  * Ternary Stability and LLE

  * Distribution of species in multispecies calculations

  * Automated pKa calculation
