{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009699354,0.00007592849,0.00008254324,0.00006333625,0.00004187528,0.00008121919,0.0003035555,0.00003066006,0.000008832175],"category_scores_gemma":[0.000002489209,0.00007470627,0.00002924726,0.0001870847,0.000009528992,0.0000955772,0.0001021482,0.00005763455,0.00004264018],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001047046,"about_ca_system_score_gemma":0.00002078186,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002710244,"about_ca_topic_score_gemma":0.00004555867,"domain_scores_codex":[0.9992593,0.00002452074,0.000187233,0.0002059935,0.0001428511,0.0001800982],"domain_scores_gemma":[0.9996372,0.00002803553,0.00003635166,0.000265458,0.000007353901,0.00002552652],"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":[2.910916e-7,0.0000414656,0.007543744,0.000002430895,0.000001931945,0.00002002298,0.00004493424,0.8534718,0.0001230972,0.1381221,0.0001729743,0.0004551828],"study_design_scores_gemma":[0.0001533152,0.000009741444,0.00695659,0.000008385586,7.676726e-7,0.000004079241,0.0000047489,0.9873855,0.00005132225,0.00237389,0.002949358,0.000102352],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.07059415,0.00003685389,0.9202234,0.000247679,0.0001556524,0.00007654478,0.000003212565,0.00008996117,0.008572522],"genre_scores_gemma":[0.9829019,2.248991e-7,0.01664778,0.00005227932,0.00004401255,0.000002442403,0.00003010233,0.00000363277,0.0003176772],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9123077,"threshold_uncertainty_score":0.3046433,"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."}}