amdenterpriseai/aim-instinct-model-rssrwn-semlaflow repository overview

⁠SemlaFlow

SemlaFlow is a small-molecule generation model from AstraZeneca using equivariant attention-based message passing (Semla architecture) with flow matching and optimal transport. The model generates 3D molecular structures; this AIM returns the canonical SMILES of each generated molecule together with its 3D structure as a mol block with 3D coordinates. Trained on GEOM-Drugs and QM9 datasets. The upstream code is MIT licensed; the checkpoint and data are fetched by the user from the upstream links, which state no separate licence.