SandboxAQ

Proteochemometric potency model that ranks protein-ligand pairs on the pIC50 scale from a UniProt accession and a SMILES string, no structure needed.

Structure-free protein-ligand binding affinity predictor built on OpenFold3 that scores potency from a protein sequence and a ligand SMILES string.

Open-source Apache-2.0 reproduction of AlphaFold3 that predicts all-atom structures of proteins, RNA, DNA, small molecules, and their complexes.