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 ...
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 ...
Microsoft released new open‑source quantum development tools that deepen VS Code and Copilot integration while targeting real ...
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