Steven Bennett

Hey Lukas, just wanted to bring this issue up again as it has appeared quite a few times in our work. I was planning on submitting a PR in which...

Receiving a similar issue on another large SMILES string. SMILES: `[H]OC(=O)[C@]1([H])c2c([H])c(O[H])c([H])c(O[H])c2-c2c([H])c(c([H])c([H])c2O[H])[C@]2([H])C(=O)N([H])[C@]([H])(C(=O)N1[H])[C@]([H])(O[H])c1c([H])c([H])c(c(Cl)c1[H])Oc1c([H])c3c([H])c(c1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@](N([H])[H])(C([H])([H])[H])C1([H])[H])Oc1c([H])c([H])c(c([H])c1Cl)[C@@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@@]3([H])C(=O)N2[H]` 

It sounds like it could be a good option. Would you want to include it as a dependency?

Were you thinking presets as different classes or as different arguments for the same optimizer?