(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 ...