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Explore the integration of AI with chemistry, focusing on trustworthy frameworks for molecular discovery. Learn about innovative approaches to predict mechanisms and overcome challenges in computational chemistry.
Explore multimodal deep learning for protein engineering, covering sequence-based models, structural approaches, and biophysical features to predict and generate functional proteins.
Discover scVIVA, a deep generative model for spatial transcriptomics that embeds cells using both intrinsic and neighboring gene expression to reveal tissue niches and cell states.
Discover SLAE, a novel all-atom framework for protein representation learning using local atomic neighborhoods, achieving state-of-the-art performance in structural biology tasks.
Discover a unified framework for training consistency models that eliminates pre-trained teachers through self-distillation, featuring novel Lagrangian methods for stable generative modeling.
Discover how scAgents revolutionizes single-cell genomics through autonomous multi-agent AI that transforms raw data into optimized models, outperforming existing methods by up to 49%.
Discover how Germinal revolutionizes antibody design by generating epitope-targeted antibodies with nanomolar binding affinities using AI-driven structure and sequence optimization.
Discover how to fix generative model miscalibration using constrained optimization, with practical applications in protein design, image generation, and language modeling.
Explore energy-based diffusion models for molecular dynamics, addressing score inconsistencies through Fokker-Planck regularization for improved biomolecular sampling.
Explore advanced latent diffusion models for generating single-cell gene expression data at scale, enhancing computational biology and drug discovery research capabilities.
Discover how self-speculative masked diffusions reduce computational burden in discrete data generation by 2x through non-factorized predictions and novel speculative sampling.
Discover a fast, fine-tuning-free framework for de novo protein design using diffusion models to create binders for proteins, peptides, small molecules, DNA, and RNA through iterative optimization.
Discover Multi-Marginal Flow Matching for modeling complex system dynamics across time and experimental conditions, with applications in gene regulation and single-cell genomics data imputation.
Explore a novel framework for modeling branched stochastic paths between distributions, enabling multi-path transitions and cellular fate predictions in AI drug discovery.
Explore AI-driven virtual cell models that predict cellular responses to treatments, accelerating drug discovery through computational simulation and biological insights.
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