3 lines
1.0 KiB
CSV
3 lines
1.0 KiB
CSV
version,total_sdf_files,total_data_size_gb,preprocessing_time_seconds,preprocessed_molecules,matching_time_seconds,total_processing_time_seconds,macrolactones_found,identification_success_rate,preprocessing_speed_mol_per_sec,matching_speed_mol_per_sec,total_properties,parallel_jobs_used,molecule_batch_size,fixes_applied,ring_12_count,ring_12_percentage,ring_13_count,ring_13_percentage,ring_14_count,ring_14_percentage,ring_15_count,ring_15_percentage,ring_16_count,ring_16_percentage,ring_17_count,ring_17_percentage,ring_18_count,ring_18_percentage,ring_19_count,ring_19_percentage,ring_20_count,ring_20_percentage
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v3.0_complete_fix,139,84.78,7159.544938802719,31080720,2830.9597804546356,9990.504719257355,5160,0.016601932001575254,4341.158588383354,1.8227033939603812,10,128,5000,No molecule limit + Correct method + Ester validation + Molecular-level parallel,501,9.709302325581396,600,11.627906976744185,2486,48.17829457364341,135,2.616279069767442,1148,22.248062015503876,52,1.0077519379844961,152,2.945736434108527,77,1.4922480620155039,9,0.1744186046511628
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