1. Model Overview
• Model Name (Mandatory): MMPT-FM (Matched Molecular Pair Transformation Foundation Model)
• Summary (Mandatory): MMPT-FM is a transformation-centric generative foundation model designed to support medicinal chemistry analog design. The model learns from matched molecular pair transformations (MMPTs), i.e., context-independent variable-to-variable chemical modifications derived from large-scale matched molecular pair data. This formulation enables scalable, interpretable, and generalizable encoding of medicinal chemistry intuition across diverse chemical series.
• Model Specification (Mandatory): Encoder–decoder Transformer. 220M parameters.
• Developed by (Mandatory): Merck & Co., Inc. (Rahway, NJ, USA) and Emory University.
• License (Mandatory): MIT license.
• Base Model (Mandatory): ChemT5 (chemistry-domain pretrained T5).
• Model Type (Mandatory): Transformer
• Languages (Optional): SMARTS (chemical substructure representation)
• Pipeline Tag (Mandatory): text2te…
