{"id":"W2157948078","doi":"10.1109/hpcs.2006.37","title":"Running Molecular Dynamics Simulations in a Grid Environment","year":2006,"lang":"en","type":"article","venue":"","topic":"Distributed and Parallel Computing Systems","field":"Computer Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"University of British Columbia; Western Canada Research Grid","keywords":"Grid; Grid computing; Computer science; DRMAA; Middleware (distributed applications); Distributed computing; Semantic grid; Supercomputer; Power grid; Computational science; Power (physics); World Wide Web; Operating system","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009119653,0.0004239997,0.0008704611,0.0003844439,0.001179228,0.001179943,0.001170061,0.0009144782,0.002813983],"category_scores_gemma":[0.002155367,0.000517994,0.0006354671,0.000816225,0.000581082,0.0009720738,0.000879569,0.001083297,0.0008280882],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007573915,"about_ca_system_score_gemma":0.001540583,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007888573,"about_ca_topic_score_gemma":0.005560715,"domain_scores_codex":[0.9994594,0.0001742131,0.00003101237,0.00007526277,0.000189613,0.00007052255],"domain_scores_gemma":[0.9992341,0.0002784882,0.00003643156,0.0002239733,0.0001108661,0.0001161132],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004634023,0.000374246,0.005924553,0.00016617,0.0001989033,0.0003849034,0.0002558128,0.9163015,0.02193861,0.02495925,0.004265218,0.02476733],"study_design_scores_gemma":[0.000163602,0.00006810671,0.0009003944,0.000007827131,0.00001440044,0.0000262816,0.00003583305,0.980895,0.005863025,0.005434923,0.006567569,0.000023078],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.6611033,0.0005784602,0.2892089,0.001677717,0.0003097908,0.0006555154,0.002337202,0.008802865,0.03532623],"genre_scores_gemma":[0.6332136,0.0006710601,0.3585284,0.0001518678,0.00007362825,0.0007281337,0.002036616,0.0007258821,0.003870856],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.007888573,"threshold_uncertainty_score":0.01568532,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004832806386456113,"score_gpt":0.1963196464089921,"score_spread":0.191486840022536,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}