Here is the pretrained version of PolyTAO, the first pretrained generative language model for polymer design.
The pretrained PolyTAO generates polymers with 15 predefined properties, i.e.:
MolWt,
HeavyAtomCount,
NHOHCount,
NOCount,
NumAliphaticCarbocycles,
NumAliphaticHeterocycles,
NumAliphaticRings,
NumAromaticCarbocycles,
NumAromaticHeterocycles,
NumAromaticRings,
NumHAcceptors,
NumHDonors,
NumHeteroatoms,
NumRotatableBonds,
RingCount
Once one supplied these prompts, PolyTAO can generate polymers based on these characteristics.
Try it, such as: "264,19,0,4,1,0,1,0,0,0,4,0,6,5,1"!
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