DynamiSpectra: A Python Software Package and Web Platform for Molecular Dynamics Data Analysis in Computational Biology by Iverson Conrado Bezerra (19555596)

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Code interpreter with LLM. by Jin Lu (428513)

“…<div><p>This paper presents a novel approach to enhancing educational question-answering (Q&A) systems by combining Retrieval-Augmented Generation (RAG) with Large Language Model (LLM) Code Interpreters. …”

Introduction to Python for getting things done by John Porter (7046763)

Walltimes for the contact-frequency data for the MD datasets used in S2 Fig on a desktop computer, Intel Core i7-6700K CPU @ 4.00GHz, with 8 cores and 64GB RAM. by Guillermo Pérez-Hernández (21156182)

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Correlation (a) and Mean-Absolute-Error (b) between frequencies at a reference cutoff, δ₀, and different frequencies, , at different cutoff-values, δ_scan ∊ [3... by Guillermo Pérez-Hernández (21156182)

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Overview of mdciao’s API submodule and their functionalities. by Guillermo Pérez-Hernández (21156182)

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Fig 4. - mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data by Guillermo Pérez-Hernández (21156182)

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Things to do after installing mdciao. by Guillermo Pérez-Hernández (21156182)

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Distribution of closest heavy-atom—heavy-atom distances over five different MD datasets (S1 Table). by Guillermo Pérez-Hernández (21156182)

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Complete text output printed to the terminal by the CLT (shown in Fig 2A) of the main text. by Guillermo Pérez-Hernández (21156182)

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Example Jupyter notebook illustrating how mdciao can be used in API mode. by Guillermo Pérez-Hernández (21156182)

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Longer-range peaks of S2 Fig (using arrows and the *, ⁑, †, ‡, and ⸸ symbols) not corresponding to short-range contacts, but rather secondary structure elements like beta-sheets or... by Guillermo Pérez-Hernández (21156182)

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Example Jupyter notebook illustrating how mdciao is used in API mode. by Guillermo Pérez-Hernández (21156182)

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Overview of one by Guillermo Pérez-Hernández (21156182)

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Script_FastCloneAssist_Colab_VS02.ipynb. by Pradip Kumar Singh (20875050)

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Script_FastCloneAssist_VS02.ipynb. by Pradip Kumar Singh (20875050)

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Example Report for FC_Class 1.txt. by Pradip Kumar Singh (20875050)

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FastCloneAssist primer design scheme. by Pradip Kumar Singh (20875050)

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Example sequences from the case study. by Pradip Kumar Singh (20875050)

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Example Report for FC_Class 2.txt. by Pradip Kumar Singh (20875050)

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