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Search results for molecular dynamics coarse graining

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6 search results found

[TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks

The source of the votca-csg and xtp packages

Martini3 Small Molecules ⭐ 39

Martini 3 small-molecule database

Swarm Cg ⭐ 17

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

MicMec, the first implementation of the micromechanical model, ever.

Spica Tools ⭐ 5

Tools for coarse-grained molecular dynamics simulations using the SPICA force field

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