The paper describes a DeepChem-integrated pipeline that combines PSMILES and weighted graph conversions, BRICS and LSTM generators, and discriminator-based filtering to generate polymers with desired ionization potential.
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Open-source Polymer Generative Pipeline
The paper describes a DeepChem-integrated pipeline that combines PSMILES and weighted graph conversions, BRICS and LSTM generators, and discriminator-based filtering to generate polymers with desired ionization potential.