chem-solution-md
learningmatter-mit
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
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learningmatter-mit
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
jinzhezenggroup
Prepare ASE molecular-dynamics workflow tasks with backend-agnostic controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, t…
jinzhezenggroup
A tool for generating initial packed molecular configurations (XYZ format) from single-molecule structures by calculating box dimensions, writing input scripts, and exec…
aryaniyaps
Design understandable and accessible product interactions. Use when shaping workflows, information architecture, navigation, interface copy, forms, controls, empty state…
gnurio
Find, diagnose, and fix misalignment in corporate settings. Use this skill when teams are stuck, decisions aren't being made, meetings are dysfunctional, or there's conf…
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