ketatam/SyCo
Official Implementation of our Paper "Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space" (ICLR 2025)
This project offers a method for generating new molecular structures by working with their underlying mathematical representations in a simplified space. It takes the principles outlined in the ICLR 2025 paper "Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space" to create novel molecular designs. Researchers in computational chemistry or drug discovery would find this useful for exploring chemical space.
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Use this if you are a computational chemist or material scientist looking to generate novel molecular structures based on advanced graph generation techniques.
Not ideal if you need a production-ready tool for immediate drug synthesis or require a simple, intuitive interface for basic molecule visualization.
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Feb 28, 2025
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