A benchmark for budgeted search over synthon combinatorial (make-on-demand) chemical spaces — frozen tasks, oracles, and reference baselines for reproducible evaluation.
pip install synthonbench
coming soon
Evaluate methods that must find high-scoring products under a fixed oracle-call budget.
Deterministic task suites and scoring oracles so results are comparable across methods and runs.
Random, Thompson sampling, GA, MCTS, and surrogate-guided baselines as a common yardstick.