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protein's amino acid sequence and full atomistic structure, including

Protein Data Bank integrating dynamic behaviors and physical properties into

protein language models demonstrating versatile generative and predictive capabilities for protein

protein backbone generator utilizing hierarchical fold class labels for conditioning

protein language model family, including PMC-15B supporting sequence- and structure

protein binding pocket, enabling scaffold hopping and linker design workflows

protein activities, enabling rapid protein engineering with minimal experimental data

Universal 3D molecular pretraining framework with 209M conformations, scaling to

proteins trained on thousands of GPUs and Google TPUs using

Diffusion-based molecular docking achieving SOTA blind docking performance, treating

protein sequence design in the context of small-molecule ligands

Large-scale biomolecular instruction dataset for chemistry/biology LLMs (ICLR2024)

protein sequence design (inverse folding) from backbone structures, achieving 52.4% sequence

protein structure design with multi-motif scaffolding capabilities, achieving state

3D Equivariant Diffusion for Target-Aware Molecule Generation (ICLR2023)

protein binders, achieving strong binding across diverse target classes including