Molecule Generator
Model
SAFE pretrained fine-tuned model
qwen2p5-3b-sampled-scaffold-six-prop-sft-lora32/checkpoint-15625
Loaded model: qwen2p5-3b-sampled-scaffold-six-prop-sft-lora32/checkpoint-15625
Generate
Random
Constrained
Description
Generate small caffeine-like heterocycles with hydrogen-bond acceptors, moderate polarity, and low molecular weight.
Molecule / Scaffold Input
Sketch
Sketch
Examples
Benzene
Aspirin
Caffeine
Quinoline
Molecule or scaffold SMILES
c1ccccc1
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Canonical SMILES
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Target Properties
Molecular Weight
LogP
TPSA
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Candidates
Temperature
Prefix fraction
‹
0 / 0
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Generated molecules will appear here.
Generation Summary