Issues 共 9
Representation of CXSMILES
#64 · cthoyt · 2026-04-02
Add Marcin to list of ai controllers
#42 · cmungall · 2025-08-21
Add optional context fields for pKa values (temperature, ionic strength, solvent)
#39 · realmarcin · 2025-08-20
Extend modeling of multiple ionizable groups to pair with pKa values
#38 · realmarcin · 2025-08-20
solubility
#35 · cmungall · 2025-08-20
Add docs on AI controller to docs/
#32 · cmungall · 2025-07-03
Examples
#29 · cmungall · 2025-07-02
Add more examples
#28 · cmungall · 2025-07-02
Testing AI agent
#27 · cmungall · 2025-07-02
Main branch should always pass the tests.
#23 · JervenBolleman · 2025-04-23