{"id":"W4367301880","doi":"10.1101/2023.04.26.538470","title":"Surfaces: A software to quantify and visualize interactions within and between proteins and ligands","year":2023,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada; Genome Canada","keywords":"Visualization; Computer science; Scripting language; Documentation; Software; Software visualization; Computational science; Nanotechnology; Computer graphics (images); Data mining; Programming language; Software development; Materials science; Component-based software engineering","routes":{"ca_aff":true,"ca_fund":true,"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":[0.001576707,0.002244168,0.001457839,0.002195168,0.000796108,0.002253265,0.002281327,0.001181917,0.02820954],"category_scores_gemma":[0.002966925,0.001490711,0.001494041,0.001218978,0.0007325773,0.001961513,0.003267945,0.002457666,0.01233174],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005277077,"about_ca_system_score_gemma":0.001291301,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002593512,"about_ca_topic_score_gemma":0.001685122,"domain_scores_codex":[0.9991456,0.0001383627,0.0000609598,0.0001261038,0.0004411532,0.00008777868],"domain_scores_gemma":[0.999105,0.0004815607,0.00006913789,0.000115181,0.0001547538,0.00007445165],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0009322726,0.0003128266,0.004047054,0.002213019,0.0006888644,0.0007859572,0.001022673,0.05693655,0.09615496,0.04733716,0.5121172,0.2774514],"study_design_scores_gemma":[0.000435637,0.000107135,0.003613923,0.0002286269,0.0001255071,0.0005539473,0.0001845909,0.5496531,0.09135637,0.05027492,0.3031837,0.0002826853],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.01089506,0.0004755813,0.6236256,0.0003408491,0.0001599409,0.0001730569,0.01567801,0.3433058,0.005346135],"genre_scores_gemma":[0.1083274,0.00158964,0.6857111,0.0004476109,0.000155783,0.001934437,0.04887641,0.1377279,0.01522974],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.02820954,"threshold_uncertainty_score":0.09437031,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01898355651346838,"score_gpt":0.2677878435137266,"score_spread":0.2488042870002583,"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."}}