diff --git "a/faiss_index_repro_20260105_100642/meta.json" "b/faiss_index_repro_20260105_100642/meta.json" new file mode 100644--- /dev/null +++ "b/faiss_index_repro_20260105_100642/meta.json" @@ -0,0 +1 @@ +{"protein_ids": ["O00482", "O14842", "O14843", "O14965", "O15552", "O43603", "O43613", "O60674", "O75469", "O75582", "O75676", "O95136", "O95718", "O95977", "P00533", "P03372", "P04150", "P04629", "P05129", "P06213", "P06239", "P06241", "P06401", "P07333", "P07550", "P07947", "P08172", "P08173", "P08235", "P08588", "P08908", "P08913", "P08922", "P09619", "P0DMS8", "P10275", "P10276", "P10826", "P10827", "P10828", "P11229", "P11362", "P11473", "P11474", "P12931", "P13631", "P14416", "P15056", "P16591", "P17252", "P17948", "P18089", "P18825", "P19793", "P20309", "P21453", "P21462", "P21554", "P21728", "P21802", "P21917", "P21918", "P22607", "P23443", "P25090", "P25100", "P25103", "P25929", "P28221", "P28222", "P28223", "P28336", "P28566", "P28702", "P29371", "P30411", "P30518", 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