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 ...
[2025-06-01] Many thanks to @aherzinger for implementing and refactoring the Generator and RAG models. [2025-05-30] Huge thanks to @baraayusry for implementing the Online Retriever using CrawAI and ...
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