Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics

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Фото: Михаил Воскресенский / РИА Новости

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icon-to-image#As someone who primarily works in Python, what first caught my attention about Rust is the PyO3 crate: a crate that allows accessing Rust code through Python with all the speed and memory benefits that entails while the Python end-user is none-the-wiser. My first exposure to pyo3 was the fast tokenizers in Hugging Face tokenizers, but many popular Python libraries now also use this pattern for speed, including orjson, pydantic, and my favorite polars. If agentic LLMs could now write both performant Rust code and leverage the pyo3 bridge, that would be extremely useful for myself.

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