Papers

• Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models (2026)
  Yu Xie et al.
  1.67
• Data-Efficient Learning of Anomalous Diffusion with Wavelet Representations: Enabling Direct Learning from Experimental Trajectories (2025)
  Gongyi Wang et al.
  1.56
• BoltzNCE: Learning Likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive Estimation (2025)
  Rishal Aggarwal et al.
  1.28
• MoDyGAN: Combining Molecular Dynamics With GANs to Investigate Protein Conformational Space (2025)
  Jingbo Liang and Bruna Jacobson
  1.28
• Generative diffusion model with inverse renormalization group flows (2025)
  Kanta Masuki and Yuto Ashida
  0.94
• BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design (2024)
  Joongwon Lee et al.
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• General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design (2024)
  Yue Jian et al.
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• Loop-Diffusion: an equivariant diffusion model for designing and scoring protein loops (2024)
  Kevin Borisiak et al.
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