CGMas: a multi-agent framework that automates topology construction, equilibration, mapping, and potential derivation for coarse-grained molecular dynamics of polymers
Read the original at arxiv.org→arXiv:2608.06694v1 Announce Type: new Abstract: Coarse-grained (CG) molecular dynamics extends polymer simulation beyond the scales accessible to all-atom (AA) methods, but bottom-up CG modeling is laborious. The CG...
Original headline: "A Multi-Agent Framework for Automated Coarse-Grained Molecular Dynamics of Polymers"
Coverage timeline
- Aug 10, 04:00 UTC arXiv cs.AI lead source A Multi-Agent Framework for Automated Coarse-Grained Molecular Dynamics of Polymers