KU-AGI/RetroReasoner-RoundTrip-8B
KU-AGI/RetroReasoner-RoundTrip-8B is an 8 billion parameter forward reaction prediction model, fine-tuned from Qwen/Qwen3-8B, designed for round-trip evaluation in the RetroReasoner project. This model predicts the product of a chemical reaction given the starting materials in SMILES format. It specializes in direct chemical reaction outcome prediction, distinguishing it from retrosynthesis models, and operates with a context length of 32768 tokens.
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RetroReasoner-RoundTrip-8B Overview
KU-AGI/RetroReasoner-RoundTrip-8B is an 8 billion parameter language model developed by KU-AGI, specifically fine-tuned from Qwen/Qwen3-8B. Its primary function is forward reaction prediction, meaning it takes chemical reactants (provided as SMILES strings) and predicts the resulting product of the chemical reaction. This model is a component of the larger RetroReasoner project, where it is utilized for round-trip evaluation.
Key Capabilities
- Forward Reaction Prediction: Predicts chemical products from given reactants.
- SMILES Input: Processes starting materials provided in SMILES format.
- Specialized Fine-tuning: Optimized for chemical reaction outcomes, not retrosynthesis (for retrosynthesis, refer to KU-AGI/RetroReasoner-RL).
- Qwen3 Chat Template: Designed to work with the Qwen3 chat template for prompt formatting.
- Direct Answers: Generates short, direct completions without extensive chain-of-thought.
Good For
- Chemical Reaction Outcome Prediction: Ideal for scenarios requiring the prediction of products from known reactants.
- Research in Chemical AI: Useful for researchers working on chemical synthesis and reaction modeling, particularly within the RetroReasoner framework.
- Round-Trip Evaluation: Specifically designed for its role in evaluating retrosynthesis models by predicting forward reactions.