atomistic-modeling

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RobinMAJ / research-workbench-agent

Extensible Codex research agent for structures, force fields and automatic VESTA/VMD visualization routing, with typed workflows, offline 3D views and registered skills.

vesta scientific-computing materials-science codex 3d-visualization force-fields ai-agents atomistic-modeling

Updated Nov 2, 2026
Python

ZHANG-JINYU-1994 / AtomDisloGen

Star

C++ research code for constructing dislocations in atomistic simulations and generating dislocation-containing LAMMPS atomic configurations.

cpp molecular-dynamics lammps materials-science atomistic-simulations dislocation materials-modelling lammps-data dislocation-dynamics atomistic-simulation volterra-dislocation crystal-defects defect-structures atomistic-modeling burgers-vector

Updated Jun 26, 2026
C++

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