This Python project provides a means of running parallelized Widom's Test Particle Insertion Method [1] on all sorts of configurations drawn from molecular-dynamics or monte-carlo simulations. This ...
What is an AI agent? An AI agent is a program that uses an LLM (like GPT-4) to reason and can call tools (search, calculate, look up data) in a loop until it completes a task. The catch: without ...
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