tabletability

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ai-chem / GEMCODE

[NeurIPS 2024] Official impl. of "Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability". An automated screening pipeline leveraging hybridization of generative AI and evolutionary optimization for pharmaceutical co-crystal design.

pipeline chemistry evolutionary-optimization molecular-generation cocrystal tabletability

Updated Oct 23, 2024
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tabletability

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ai-chem / GEMCODE

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