Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics.
Marloes ArtsVictor Garcia SatorrasChin-Wei HuangDaniel ZügnerMarco FedericiCecilia ClementiFrank NoéRobert PinslerRianne van den BergPublished in: CoRR (2023)
Keyphrases
- coarse grained
- molecular dynamics
- diffusion models
- protein folding
- fine grained
- diffusion model
- information diffusion
- social networks
- high performance computing
- protein sequences
- high level
- shared memory
- scientific data
- access control
- influence maximization
- computer vision
- fluid flow
- image processing
- viral marketing
- massively parallel
- pairwise