CO₂/CH₄ competitive adsorption in MOFs: high-throughput screening and molecular simulation

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The solver takes the LLB graph and executes it. Each vertex in the DAG is content-addressed, so if you’ve already built a particular step with the same inputs, BuildKit skips it entirely. This is why BuildKit is fast: it doesn’t just cache layers linearly like the old Docker builder. It caches at the operation level across the entire graph, and it can execute independent branches in parallel.

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