SynEco is a collection of reaction-informatics projects. SynEdu provides the teaching material; the other projects package related methods, data, and web tools.
This talktorial series — molecular graphs, reaction rules, and prediction workflows.
Core toolkit for chemical graph handling, reaction rules, and reaction-informatics utilities.
Rule-based reaction balancing and preprocessing workflows.
Template- and rule-oriented tooling for reaction modeling.
Reaction categorization and related cheminformatics utilities.
Curated reaction datasets, benchmark tasks, standardized splits, and reproducible evaluation workflows.
Hierarchical electron-pushing database and interactive explorer for reaction mechanisms.
Relationship to SynEdu¶
SynEdu keeps the implementation visible for teaching. The corresponding package can be used when the same task is needed outside a lesson:
reaction preprocessing:
SynRBLchemical graphs and reaction rules:
SynKitandSynTempreaction categories:
SynCatdatasets and evaluation:
SynRXNelectron-pushing mechanisms:
SynEPD