Cartography and factorized search of synthon combinatorial (make-on-demand) chemical spaces — route-aware sampling, OR-surrogate retrieval, and interactive maps of spaces too large to enumerate.
pip install synthonmap
coming soon
Importance-weighted product sampling across reactions, without enumerating the full combinatorial space.
UMAP, densMAP, t-SNE, and PCA density maps that show where product mass and route coverage concentrate.
Runs on billion-to-trillion-product synthon spaces such as Freedom Space — no full enumeration required.