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Data & Analytics · By JCLiuGroup

3 skills found.
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1

Entry point and controller for computational chemistry and materials workflows.

JCLiuGroup/AI-Computational-Chemist1461 repo~1.4kAutomated safety check: PassUnknown12 days ago
2

Prepare, run, and validate LAMMPS molecular dynamics. An agent skill from JCLiuGroup/AI-Computational-Chemist.

JCLiuGroup/AI-Computational-Chemist1461 repo~539Automated safety check: PassUnknown12 days ago
3
3.Mlp

Umbrella routing for machine-learning interatomic potential workflows.

JCLiuGroup/AI-Computational-Chemist1461 repo~514Automated safety check: PassUnknown12 days ago