API

The API reference is organized by the main SynKit packages. Each page groups the most relevant public modules for a practical, package-level view of the library.

Explore SynKit by package: chemistry, graph methods, reaction rules, synthesis workflows, chemical reaction networks, visualization, and input/output utilities.

Chem

Reaction standardization, validation, fingerprints, clustering, and molecular utilities.

Chem

Graph

ITS, MTG, graph matching, canonicalization, context expansion, and structural analysis.

Graph

IO

Conversion between SMILES, graphs, GML, SMARTS, and other SynKit-ready representations.

IO

Rule

Rule composition, transformation templates, matching, and rule modification utilities.

Rule

Synthesis

Reactor engines, multi-step workflows, scoring, benchmarking, and synthesis utilities.

Synthesis

CRN

Chemical reaction network construction, querying, pathway analysis, symmetry, and properties.

CRN

Vis

Visualization tools for reactions, rules, graphs, embeddings, and CRN structures.

Visualization