1 citations · 1 across the 4 of their papers we have counts for
10 papers
Demystifying Data-Driven Probabilistic Medium-Range Weather Forecasting
Jean Kossaifi, Nikola Kovachki, Morteza Mardani +15
The recent revolution in data-driven methods for weather forecasting has lead to a fragmented landscape of complex, bespoke architectures and training strategies, obscuring the fun…
Consistent Synthetic Sequences Unlock Structural Diversity in Fully Atomistic De Novo Protein Design
Danny Reidenbach, Zhonglin Cao, Zuobai Zhang +8
High-quality training datasets are crucial for the development of effective protein design models, but existing synthetic datasets often include unfavorable sequence-structure pair…
Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham +5
A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. Existing solutions for this problem often struggle to effec…
Efficient Molecular Conformer Generation with SO(3)-Averaged Flow Matching and Reflow
Zhonglin Cao, Mario Geiger, Allan dos Santos Costa +6
Fast and accurate generation of molecular conformers is desired for downstream computational chemistry and drug discovery tasks. Currently, training and sampling state-of-the-art d…
Elucidated Rolling Diffusion Models for Probabilistic Forecasting of Complex Dynamics
Salva Rühling Cachay, Miika Aittala, Karsten Kreis +4
Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional complex systems predict future states individually. This approach stru…
Hierarchical protein backbone generation with latent and structure diffusion
Jason Yim, Marouane Jaakik, Ge Liu +5
We propose a hierarchical protein backbone generative model that separates coarse and fine-grained details. Our approach called LSD consists of two stages: sampling latents which a…