SupraTITO: Transferable Generative Molecular Dynamics for Supramolecular Systems
physics.chem-ph, cond-mat.soft, cs.LG, physics.bio-ph
Submitted: 2026-10-01
Updated: 2026-10-01
Sources
- Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators
- Coarse-Grained Boltzmann Generators
- EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
- Flow Matching for Generative Modeling
- Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow
- Calibrating Generative Models to Distributional Constraints
- Improving and generalizing flow-based generative models with minibatch optimal transport
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