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Skills tagged: MLIP

Browse skills that share this tag.

  • ml-mlip-nvalchemi - Run GPU-Batched MLIP Calculations
    machine-learningMLIPNValchemiGPU computing

    ★ 175 · Updated 2026-10-07

    Provides optional experimental GPU-batched static prediction, structure relaxation, and molecular dynamics for supported MLIP models using NValchemi.

    ⚙ Run batched static predictions⚙ Run batched structure relaxation⚙ Run batched molecular dynamics