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Overview: Since 2019, the parameters of large deep learning models have increased by over 300 times every 18 months. However, the future ML progress cannot continue simply based on using more data or creating larger models, because the growing gap between the model demand and resource supply is not sustainable.
We consider the conditional generation of 3D drug-like molecules with explicit control over molecular properties such as drug-like properties (e.g., Quantitative Estimate of Druglikenessor Synthetic Accessibility score) and effectively binding to specific protein sites. To tackle this problem, we propose
We are thrilled to announce the launch of our latest research initiative, the Trustworthy Generative AI Project. This ambitious project is set to revolutionize how we interact with multimodal content by developing cutting-edge generative models capable of compositional generation and reasoning across
In protein biophysics, the separation between the functionally important residues (forming the active site or binding surface) and those that create the overall structure (the fold) is a well-established and fundamental concept. Identifying and modifying those functional sites is critical for protein
