Modules overview¶

racer^TS is made up of independently configurable components:

• ConformerGenerator — Orchestrates the full pipeline
• MolGetter — Builds an RDKit molecule from the TS .xyz (and optional SMILES)
• Embedder — Generates TS-constrained 3D conformers
• Optimizer — Optimizes conformers with constraints (MMFF/UFF, optional ASE)
• Pruner — Reduces ensembles by energy and RMSD