2 papers
physics.bio-ph2025
JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
Ameya Daigavane, Bodhi P. Vani, Darcy Davidson +3
Conformational ensembles of protein structures are immensely important both for understanding protein function and drug discovery in novel modalities such as cryptic pockets. Curre…
cs.LG2025
Matching the Optimal Denoiser in Point Cloud Diffusion with (Improved) Rotational Alignment
Ameya Daigavane, YuQing Xie, Bodhi P. Vani +3
Diffusion models are a popular class of generative models trained to reverse a noising process starting from a target data distribution. Training a diffusion model consists of lear…