Examples for pyCRS/PLAMS¶
- pyCRS : Basic usage for Database and CRSManager
- pyCRS : Conformer usage for Database and CRSManager
- pyCRS : Basic usage for PropPred and FastSigma
- Examples using PLAMS
- 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
- Automated screening of ionic liquids
- Calculating and estimating sigma profiles
- Sigma Moments
- Eutectic systems
- Binodal and Spinodal Curves
- Distribution of species in multispecies calculations
- Automated pKa calculation