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• Accurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion
  2023 · 7 citations
• A mechanistically interpretable neural network for regulatory genomics
  2024 · 4 citations
• Efficient Fine-Tuning of Single-Cell Foundation Models Enables Zero-Shot Molecular Perturbation Prediction
  2024 · 2 citations
• CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
  2023 · 2 citations
• Cell Morphology-Guided Small Molecule Generation with GFlowNets
  2024 · 2 citations
• Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding
  2024 · 2 citations
• A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
  2022 · 1 citations
• Feedback Efficient Online Fine-Tuning of Diffusion Models
  2024 · 1 citations
• MolCap-Arena: A Comprehensive Captioning Benchmark on Language-Enhanced Molecular Property Prediction
  2024 · 1 citations
• Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Design
  2025
• Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design
  2024