← Molecule retrieval from MS/MS spectrum (bonus chemical formulae)

Papers with Code · CC BY-SA 4.0

MassSpecGym

아카이브 평가 8건 · 마지막 적재/변경 2026-10-30

원본 데이터셋 링크 1

평가 기록

과거 수집 기록이며 최신 순위가 아닙니다. 데이터셋 버전·split·실험 조건과 지표 방향이 검증되지 않은 결과는 직접 비교할 수 없습니다. 날짜는 논문 날짜이며 최신 평가일을 뜻하지 않습니다.

표가 화면보다 넓으면 좌우로 스크롤하여 논문과 구현 링크를 확인하세요.

원본 기록 순서 · 순위 미부여
모델	원본 지표·값	논문	구현
JESTR	Hit rate @ 1 11.85 Hit rate @ 5 32.95 Hit rate @ 20 61.46	JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 2024-11-18	연결 없음
JESTR_NR	Hit rate @ 1 11.82 Hit rate @ 5 33.48 Hit rate @ 20 61.46	JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 2024-11-18	연결 없음
ESP	Hit rate @ 1 11.05 Hit rate @ 5 27.42 Hit rate @ 20 52.20	JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 2024-11-18	연결 없음
MIST	Hit rate @ 1 9.57 Hit rate @ 5 22.11 Hit rate @ 20 41.12 MCES @ 1 12.75	MassSpecGym: A benchmark for the discovery and identification of molecules 2024-10-30	코드 1
DeepSets + Fourier features	Hit rate @ 1 6.56 Hit rate @ 5 16.46 Hit rate @ 20 33.46 MCES @ 1 14.14	MassSpecGym: A benchmark for the discovery and identification of molecules 2024-10-30	코드 1
Fingerprint FFN	Hit rate @ 1 5.09 Hit rate @ 5 14.69 Hit rate @ 20 31.97 MCES @ 1 14.94	MassSpecGym: A benchmark for the discovery and identification of molecules 2024-10-30	코드 1
DeepSets	Hit rate @ 1 4.42 Hit rate @ 5 14.46 Hit rate @ 20 30.76 MCES @ 1 15.04	MassSpecGym: A benchmark for the discovery and identification of molecules 2024-10-30	코드 1
Random	Hit rate @ 1 3.06 Hit rate @ 5 11.35 Hit rate @ 20 27.74 MCES @ 1 13.87	MassSpecGym: A benchmark for the discovery and identification of molecules 2024-10-30	코드 1