{"id":"W2083073659","doi":"10.1147/rd.492.0465","title":"Custom math functions for molecular dynamics","year":2005,"lang":"en","type":"article","venue":"IBM Journal of Research and Development","topic":"Algorithms and Data Compression","field":"Computer Science","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"IBM (Canada)","funders":"","keywords":"Compiler; IBM; Fortran; Computer science; Parallel computing; Supercomputer; Folding (DSP implementation); Implementation; Throughput; Point (geometry); Programming language; Computational science; Computer architecture; Operating system; Mathematics; Engineering","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"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":[0.0013923,0.00184324,0.001126772,0.00142063,0.001051963,0.001701671,0.003563621,0.001278342,0.1120361],"category_scores_gemma":[0.004855933,0.001096848,0.001425085,0.00185972,0.0005067263,0.002457289,0.001916044,0.003296014,0.06613291],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001479681,"about_ca_system_score_gemma":0.001608003,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002728929,"about_ca_topic_score_gemma":0.003842703,"domain_scores_codex":[0.9992301,0.00009387487,0.00007364684,0.0001065043,0.0003915267,0.0001042931],"domain_scores_gemma":[0.9985569,0.0004004288,0.0001070375,0.0003088796,0.0005393309,0.00008739137],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0006160833,0.0001985827,0.002226204,0.001520616,0.0001701375,0.0005278085,0.0005788895,0.02209045,0.02014719,0.1212454,0.5564457,0.274233],"study_design_scores_gemma":[0.0002145183,0.00006025417,0.0009228775,0.0001678143,0.00004394354,0.0005249454,0.00005833282,0.08732992,0.03115388,0.02136717,0.8580213,0.0001350382],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.005699292,0.001032751,0.6529572,0.0007588407,0.0008350862,0.0004146371,0.01593016,0.2558047,0.06656727],"genre_scores_gemma":[0.05751145,0.002095536,0.7075499,0.001285366,0.0002876926,0.002104478,0.03182788,0.1058559,0.09148187],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.1120361,"threshold_uncertainty_score":0.3747981,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04394402384357644,"score_gpt":0.345994106838011,"score_spread":0.3020500829944346,"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."}}