{"id":"W4312784634","doi":"10.46427/gold2022.10025","title":"Predicting the Crystal Structure of Beryl from Chemical Analyses","year":2022,"lang":"en","type":"article","venue":"Goldschmidt2022 abstracts","topic":"Mineralogy and Gemology Studies","field":"Earth and Planetary Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Crystal structure; Materials science; Crystal (programming language); Chemical structure; Chemistry; Crystallography; Computer science; Organic chemistry","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":[0.0003493725,0.0004404595,0.000682127,0.0008621159,0.0005419289,0.001041288,0.0005876886,0.0006780748,0.003615153],"category_scores_gemma":[0.001395029,0.0004381473,0.0003496422,0.0007623887,0.0003733053,0.001460058,0.0005199074,0.0006557813,0.001993641],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001122641,"about_ca_system_score_gemma":0.0009577953,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008016255,"about_ca_topic_score_gemma":0.01200891,"domain_scores_codex":[0.9997916,0.00001853266,0.000009156328,0.00006977672,0.00008564392,0.00002524546],"domain_scores_gemma":[0.9997144,0.00008022212,0.00005735677,0.0000406961,0.00008434991,0.00002295292],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001377721,0.0001748341,0.0966367,0.002987084,0.0001606252,0.001457027,0.0005292099,0.2222946,0.4232438,0.02132317,0.02467643,0.2051388],"study_design_scores_gemma":[0.0002511565,0.0005526871,0.03299372,0.00032613,0.00009937737,0.001075355,0.000716484,0.6309244,0.1811837,0.01678953,0.1349716,0.0001158794],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8796026,0.005583474,0.07861753,0.0013567,0.0002134392,0.0001300044,0.008458066,0.003138643,0.02289951],"genre_scores_gemma":[0.92468,0.00276514,0.05894453,0.00009320486,0.00002494288,0.00005465208,0.006792267,0.0003366274,0.006308695],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008016255,"threshold_uncertainty_score":0.01593918,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02289133688207043,"score_gpt":0.2452059840365404,"score_spread":0.22231464715447,"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."}}