Python API Documentation

This is a short list of common methods and classes.

PLAMS: Overview

AMSJob and AMSResults | Settings | view | Molecule

ChemicalSystem: Overview | Complete API

File formats | Atoms | Bonds | Lattice | Regions | Geometry manipulation | ASE, RDKit, PLAMS interfaces

COSMO-RS: Overview

pyCRS overview | COSMO-RS Job (CRSJob) | PropPred | Fast Sigma

ParAMS: Overview

ResultsImporter | ParAMSJob | ParAMSResults | Parameter interfaces

Utilities and workflows:

Conformers | Reactions Discovery | Simple Active Learning

Other:

Scripting Overview | ASE Calculator for AMS | AuToGraFS