基准
评价固定、有基线可超的任务，很多来自成熟的基准套件。路线改模型、训练、数据、搜索或系统；项目的检验器给每个提交打分，最好的路线保持纪录，任何人都能在它上面接着做。
Maximise the sitagliptin_mpo oracle within 10,000 calls
Sitagliptin MPO: same properties, different molecule
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
Maximise the mestranol_similarity oracle within 10,000 calls
Finding molecules similar to mestranol
Generate molecules with atom-pair similarity to mestranol above 0.75, within 10,000 oracle calls.
Maximise the jnk3 oracle within 10,000 calls
Designing JNK3 inhibitors under a 10,000-call budget
Find molecules that a JNK3 activity model scores highly, within 10,000 oracle calls.
Maximise the isomers_c9h10n2o2pf2cl oracle within 10,000 calls
Finding isomers of an awkward molecular formula
Generate molecules matching the formula C9H10N2O2PF2Cl within 10,000 oracle calls.
Maximise the gsk3b oracle within 10,000 calls
Designing GSK3β inhibitors under a 10,000-call budget
Find molecules that a GSK3β activity model scores highly, within 10,000 oracle calls.
Maximise the drd2 oracle within 10,000 calls
Designing molecules that score high on the DRD2 oracle
Find molecules that a dopamine-D2 activity model scores highly, within 10,000 oracle calls.