virtualramblas/gromacs_smolagent

An HF's Smolagent to automate molecular dynamics simulations using GROMACS.

⭐ 11 ⑂ 0 Python Apache-2.0 · 2026-02-05推送

agentic-ai huggingface python pytorch smolagents transformers small-language-models molecular-dynamics gromacs

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2026-02-05

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