Machine learning interatomic potentials like MACE (NeurIPS 2022) have reached a point where they rival density functional theory in accuracy while running orders of magnitude faster. But using them still requires Python scripting, command-line fluency, and environment setup that shuts out a large number of researchers, especially those with accessibility needs, those in under-resourced labs, or students encountering computational chemistry for the first time.
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That’s it. op run reads the references, fetches each secret from your vault (authenticating via Touch ID or your master password), injects them as environment variables, and runs your command. Secrets never touch disk as plaintext. As a bonus, op run automatically masks secret values if they accidentally appear in stdout.，推荐阅读体育直播获取更多信息