Summary
Add polymer-density benchmark (molecular_dynamics/polymers)
Adds a molecular_dynamics/polymers benchmark that scores MLIP predictions
of room-temperature amorphous polymer densities against the 130-polymer
experimental dataset from [SimPoly] (arXiv:2510.13696).
Interactive features
Scatter plot
Category
molecular_dynamics
Data availability
Experimental data
Computational cost
Simulation time is around 2.5 ns per polymer.
Additional context
No response
Summary
Add polymer-density benchmark (
molecular_dynamics/polymers)Adds a
molecular_dynamics/polymersbenchmark that scores MLIP predictionsof room-temperature amorphous polymer densities against the 130-polymer
experimental dataset from [SimPoly] (arXiv:2510.13696).
Interactive features
Scatter plot
Category
molecular_dynamics
Data availability
Experimental data
Computational cost
Simulation time is around 2.5 ns per polymer.
Additional context
No response