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(7/n) Check out our paper and code: Paper: arxiv.org/abs/2506.17139 Code + models: github.com/noegroup/Sco... And also, our self-contained notebooks! Colab (JAX): colab.research.google.com/drive/1r3DGO... Colab (PyTorch): colab.research.google.com/drive/1rbcND... #NeurIPS2025 #Diffusion #MD
In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to ...
arxiv.org
Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models
7mo
Michael Plainer