Plug-ins

Plug-ins provide the functionality in SEAMM. Here are links to their documentation, grouped by category:

• Analysis
  • Geometry Analysis
• Building
  • Crystal Builder
  • From SMILES
  • PACKMOL
  • Set Cell
  • Strain
  • Supercell
• Control
  • Control Parameters
  • Loop
• Custom
  • Custom
• Data
  • QCArchive
  • Read Structure
  • System
  • Table
• Featurizers
  • RDKit
• Properties
  • Diffusivity
  • Thermal Conductivity
• Simulations
  • DFTB+
  • Gaussian
  • LAMMPS
  • MOPAC
  • Psi4
  • QuickMin
  • TorchANI