molecular-optimization topic
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molecular-optimization repositories
deep-molecular-optimization
139
Stars
36
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Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
MolGen
110
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7
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[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Argenomic
16
Stars
7
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Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.