Awesome De novo drugs design papers
☆92Nov 21, 2023Updated 2 years ago
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- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Jun 16, 2020Updated 5 years ago
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- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
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- A Euclidean diffusion model for structure-based drug design.☆490Jun 25, 2025Updated 8 months ago
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- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆201Feb 12, 2023Updated 3 years ago
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