Strong sequence, template, graph and planning systems.
The core question was often which model best reproduced the recorded reaction under a benchmark protocol.
Molecular TransformerLocalRetroGraph2EditsNAG2GRetro*AiZynthFinder
Find the exact version, inspect its evidence and limitations, compare context fit and preserve a reproducible evaluation record—without confusing availability with therapeutic validity.
No fabricated universal score. Suitability depends on scientific task, evidence context, exact version, biological representation, calibration, failure boundaries, deployment constraints and context of use.
Retrosynthesis is moving beyond one architecture and one Top-1 answer. BioAtlas now maps the historical specialists and the newer ensemble, flow and chemistry-LLM systems—while keeping benchmark context and limitations visible.
The core question was often which model best reproduced the recorded reaction under a benchmark protocol.
The emerging question is what survives when different model families propose—and challenge—different chemistry.
Governed computation stays inside the evaluation evidence chain. Exact inputs, runtime identity, outputs and review state remain attached to every downstream claim and model-use recommendation.
Search by model, organisation, capability or scientific principle. Catalogue fit is never presented as scientific validation.
The model that solved the 50-year protein-folding problem.
The three-track network that followed folding into all-atom space.
A fully open, trainable reproduction of AlphaFold 2.
Structure from a single sequence — no alignment required.
An AlphaFold3-class complex predictor, made freely usable.
Open-source AF3-quality structure — plus binding affinity.
ByteDance's open reproduction of AlphaFold 3.
Diffusion models that hallucinate brand-new proteins.
Given a shape, design the sequence that folds into it.
Create one governed evaluation record for context, versions, computation, contradiction, review and the next evidence gate. Therapeutic programme authority remains in Bayes Pharma Discovery OS.