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aineural-networksreinforcement-learningunsupervised-learningdeep-learningmachine-learningllmgenerative-aisupervised-learningazurecloud-computingopenmpquantum-computingquantum-mechanicsmaterials-sciencecondensed-mattercomputational-chemistryartificial-intelligencedata-sciencepipdockercontainerskubernetesdependenciesinteractive-modempic++ccudaopenmpiprogrammingACCESSvimvmmolecular-dynamicscp2kcomsolpytorchopenfoamtensorflownatural-language-processinggaussianlammpsfluid-dynamicsdata-wranglingdftfinite-element-analysisvisualizationdata-analysisnlpapiasegitscikit-learnpython