diff --git a/leaderboard/public.md b/leaderboard/public.md index 9a0c9c7..c1146aa 100644 --- a/leaderboard/public.md +++ b/leaderboard/public.md @@ -1,8 +1,11 @@ # Public Test Leaderboard -Last updated: 2025-12-17 15:54:33 UTC +Last updated: 2026-04-17 07:45:21 UTC -| Rank | Username | Best F1 Score | Submissions | -|------|----------|---------------|-------------| -| 1 | CandyCrunch | 0.7403 | 2 | -| 2 | baseline | 0.0000 | 1 | +Total participants: 3 | Total submissions: 4 + +| Rank | Username | Best F1 Score | Submissions | Last Submission | +|------|----------|---------------|-------------|------------------| +| 1 | Metformin-121 | 0.9767 | 1 | 2026-04-17 | +| 2 | CandyCrunch | 0.7403 | 2 | 2025-11-28 | +| 3 | baseline | 0.0000 | 1 | 2025-11-17 | diff --git a/leaderboard/public_scores.json b/leaderboard/public_scores.json index 2dc1f22..527f7bb 100644 --- a/leaderboard/public_scores.json +++ b/leaderboard/public_scores.json @@ -20,5 +20,14 @@ "timestamp": "2025-11-28T12:23:36.731443" } ] + }, + "Metformin-121": { + "best_score": 0.9767, + "submissions": [ + { + "score": 0.9767, + "timestamp": "2026-04-17T07:45:21.442726" + } + ] } } \ No newline at end of file diff --git a/submissions/Metformin-121/public/CA_PGMLAD_OG_051017_submission.csv b/submissions/Metformin-121/public/CA_PGMLAD_OG_051017_submission.csv new file mode 100644 index 0000000..18dfc1c --- /dev/null +++ b/submissions/Metformin-121/public/CA_PGMLAD_OG_051017_submission.csv @@ -0,0 +1,124 @@ +m/z,RT,charge,top1_pred +512.0054932,19.30209,-1,Hex(?1-?)[Hex(?1-?)]Hex(?1-?)Hex +530.2503052,26.54044833,-1,Fuc(a1-2)Gal(b1-3)GalNAc +530.2503052,27.91,-1,Fuc(a1-2)Gal(b1-3/4)HexNAc +548.8,27.49,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc +577.3,22.71,-1,GlcNAc(?1-3/4)Gal(b1-3/4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc +587.2626953,17.49537833,-1,Gal(b1-4)GlcNAc(b1-6)GalNAc +587.2681885,10.437415,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc 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mode 100644 index 0000000..828a37b --- /dev/null +++ b/submissions/Metformin-121/public/JC_141128PGMa_submission.csv @@ -0,0 +1,77 @@ +m/z,RT,charge,top1_pred +384.15,10.61,-1,Gal(b1-3)GalNAc +384.15,14.31,-1,GlcNAc(a1-4)Gal +530.21,17.46,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal +530.21,28.91,-1,Fuc(a1-2)Gal(b1-3)GalNAc +587.25,15.21,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc +587.42,15.85,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc +587.42,16.92,-1, +667.33,18.76,-1,Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +667.33,19.64,-1,Gal(b1-4)GlcNAc6S(b1-6)GalNAc +675.42,16.64,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +675.25,19.29,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc +702.76,27.52,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]GalNAc +702.76,30.48,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +733.29,20.7,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc +733.29,29.5,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +749.28,18.83,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc 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+519.67,15.78,-1,Neu5Ac(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc +530.1,12.56,-1,Gal(b1-4)GlcNAc(b1-3)Fuc +530.1,19.91,-1,Fuc(a1-2)Gal(b1-3)GalNAc +587.1,9.42,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc +587.1,9.65,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc +675.2,9.76,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +675.2,11.46,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc +733.2,12.82,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc +733.2,20.47,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +749.2,11.46,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +790.2,11.12,-1,GlcNAc(a1-4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +813.1,23.31,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +848.5,15.01,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc +878.2,13.51,-1,Neu5Ac(a2-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +895.2,10.44,-1,Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc +895.2,20.69,-1,Fuc(a1-2)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc +966.1,12.97,-1,Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc 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/dev/null +++ b/submissions/Metformin-121/public/JC_200217P1N_200218002345_submission.csv @@ -0,0 +1,59 @@ +m/z,RT,charge,top1_pred +384.2,10.91,-1,Gal(b1-3)GalNAc +425,14.71,-1,GlcNAc(b1-4)GlcNAc +513.31,12.68,-1,Neu5Ac(a2-6)GalNAc +530.3,25.26,-1,Fuc(a1-2)Gal(b1-3)GalNAc +571.3,15.59,-1,Fuc(a1-3)[GlcNAc(b1-4)]GlcNAc +571.3,18.19,-1,GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +587.3,13.77,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc +587.3,17.16,-1,Man(b1-4)GlcNAc(b1-4)GlcNAc +667.35,14.78,-1,Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +675.41,13.58,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +675.41,15.2,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc +691.3,13.48,-1,Gal(b1-3)[Neu5Gc(a2-6)]GalNAc +698.4,19.15,-1,Man(a1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +716.3,13.76,-1,GlcNAc(b1-3)[Neu5Ac(a2-6)]GalNAc +716.3,15.99,-1,GalNAc(a1-3)[Neu5Ac(a2-6)]GalNAc +731.5,21.23,-1,GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +733.42,17.26,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc 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+1219.44,22.63,-1,Man(a1-3/6)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +1235.5,19.63,-1,{Man(a1-2/3/6)}{Man(a1-2/3/6)}Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1235.5,21.83,-1,Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1260.56,24.59,-1,GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +1381.6,24.07,-1,Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +1397.7,19.15,-1,Man(a1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1422.5,25.06,-1,Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +1439.5,26.65,-1,Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1559.7,18.39,-1,Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc diff --git a/submissions/Metformin-121/public/JC_240920PGM1_2_submission.csv b/submissions/Metformin-121/public/JC_240920PGM1_2_submission.csv new file mode 100644 index 0000000..61a97ad --- /dev/null +++ b/submissions/Metformin-121/public/JC_240920PGM1_2_submission.csv @@ -0,0 +1,32 @@ +m/z,RT,charge,top1_pred +587.25,13.62,-1,GlcNAc(a1-4)Gal(b1-3)GalNAc +675.27,15.14,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc +702.9,29.77,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc +731.4,26.68,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc +733.3,19.58,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc +733.3,29.36,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +749.3,17.57,-1,Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +749.3,18.52,-1,Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc +878.3,18.73,-1,Neu5Ac(a2-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +893.4,27.21,-1,Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +895.4,20.13,-1,Fuc(a1-3/4)[Gal(b1-3/4)]GlcNAc(b1-3)Gal(b1-3)GalNAc +895.4,22.34,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc +895.4,23.59,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +895.4,29.67,-1,Fuc(a1-2)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc +906.1,20.1,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]GalNAc +934.63,23.87,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc +941.39,22.3,-1,Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +952.4,19.18,-1,Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)GalNAc +952.4,20.27,-1,GlcNAc(a1-4)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc +966.35,16.07,-1,Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +1009.94,21.64,-1,Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc +1040.4,21.92,-1,Neu5Ac(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc +1041.5,31.96,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1098.4,16.73,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc +1098.4,29.99,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1111.46,25.02,-1,Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1114.5,23.41,-1,Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +1119.7,24.5,-1,Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc +1184.44,26.95,-1,Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc +1244.5,29.87,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1317.5,23.25,-1,GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)]Gal diff --git a/submissions/Metformin-121/public/TT_200116Hayden_2_submission.csv b/submissions/Metformin-121/public/TT_200116Hayden_2_submission.csv new file mode 100644 index 0000000..ecdb51c --- /dev/null +++ b/submissions/Metformin-121/public/TT_200116Hayden_2_submission.csv @@ -0,0 +1,66 @@ +m/z,RT,charge,top1_pred +384.2,12.76338333,-1,Gal(b1-3)GalNAc +384.2,15.95,-1,Gal(b1-3/4)HexNAc +530.4,26.53695833,-1,Fuc(a1-2)Gal(b1-3)GalNAc +587.3,15.89843333,-1,Gal(b1-3)[GlcNAc(b1-6)]GalNAc +587.3,17.94,-1,Gal(b1-3/4)GlcNAc(b1-3/6)HexNAc +628.42,17.11,-1,GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc +667.3,17.06258333,-1,Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +667.3,19.68,-1,Glc(?1-?)Glc(?1-?)Glc(?1-?)Glc +675.4,16.34,-1,Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +675.4,17.43591667,-1,Neu5Ac(a2-3)Gal(b1-3)GalNAc +685.816656,21.85,-1,Neu5Ac(a2-3/6)GlcNAc(b1-3)Gal(b1-3)GlcNAc(b1-3)[Neu5Ac(a2-6)]GalNAc +733.5,19.43,-1,Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)GalNAc +733.5,26.96950833,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +733.5,29,-1,{Fuc(a1-2/3/4)}Gal(b1-3)[GlcNAc(b1-6)]GalNAc +738.5,29.00066667,-1,Neu5Ac(a2-3)Gal(b1-4)[Neu5Ac(a2-3)]GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +749.4,18.24721667,-1,Gal(b1-3/4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +767,19.95,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-4)[Neu5Ac(a2-3)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc +790.5,17.86523333,-1,HexNAc(?1-3/4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +813.4,27.92751667,-1,Fuc(a1-2)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +813.4,30.52,-1,{Fuc(a1-2/3/4)}Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +829.4,19.28913333,-1,Gal(b1-3/4)GlcNAc6S(b1-6)[Gal(b1-3)]GalNAc +840.1,29.9,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-4)[Neu5Ac(a2-3)]GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +868.6,21.22,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-3)]GalNAc +878.4,19,-1,Neu5Ac(a2-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +878.4,22.72,-1,Gal(b1-3/4)[Neu5Ac(a2-6)]GlcNAc(b1-3)GalNAc +895.5,19.57809167,-1,Fuc(a1-2)Gal(b1-3)GlcNAc(b1-6)[Gal(b1-3)]GalNAc +895.5,22.09870833,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc 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+1041.5,29.31,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1041.5,30.42,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1041.5,31.55,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1041.5,32.64,-1,{Fuc(a1-2/3/4)}{Fuc(a1-2/3/4)}{Gal(?1-?)}Gal(b1-3)[GlcNAc(b1-6)]GalNAc +1062.6,31.86178333,-1,{Gal(b1-3/4)GlcNAc}{Gal(b1-3/4)GlcNAc}{Fuc(a1-2/3/4)}{Neu5Ac(a2-3)}{Neu5Ac(a2-3)}Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc +1081.531007,20.9,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-3)[GlcNAc(b1-6)]GalNAc +1098.525879,20.49,-1,Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc +1098.592289,23.43,-1,Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(?1-3/4)Gal(b1-3)]GalNAc +1121.5,28.02363333,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc6S(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1169.543459,18.02,-1,Neu5Ac(a2-3/6)GlcNAc(b1-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc +1178.6,28.07085833,-1,Fuc(a1-2)Gal(b1-3/4)GlcNAc6S(b1-6)[HexNAc(?1-3/4)Gal(b1-3)]GalNAc 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+1389.6,29.18,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc +1477.574589,29.85,-1,Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc +1534.55,20.65,-1,Neu5Ac(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc