A relatively recent version of Python (ex: 3.10) and PyTorch (ex: 2.3) are required. All dependencies can be installed in a virtual environment with pip install -r ...

Since ChatGPT made its debut in late 2022, literally dozens of frameworks for building AI agents have emerged. Of them, ...

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This code has been tested after docking pose generation with VOID, specifically with the cation-anion Monte Carlo algorithm developed for this work. It identifies oxygen atoms in gas-phase molecules ...