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아카이브 평가 29건 · 마지막 적재/변경 2026-10-30

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
DumplingGNN	ROC-AUC 96.4	Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure 2024-09-23	연결 없음
ChemBFN	ROC-AUC 95.74	A Bayesian Flow Network Framework for Chemistry Tasks 2024-07-28	코드 1
MTL-BERT	ROC-AUC 93.0	Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration 2022-12-15	코드 1
XGBoost	ROC-AUC 90.5	Accurate ADMET Prediction with XGBoost 2022-04-15	코드 1
SELFormer	ROC-AUC 90.2	SELFormer: Molecular Representation Learning via SELFIES Language Models 2023-04-10	코드 1
STL-BERT	ROC-AUC 89.6	Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration 2022-12-15	코드 1
AttrMasking	ROC-AUC 89.2	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
Cano-BERT	ROC-AUC 89.2	Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration 2022-12-15	코드 1
S-CGIB	ROC-AUC 88.75±0.49	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck 2025-02-20	코드 1
AttentiveFP	ROC-AUC 85.5	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
MolXPT	ROC-AUC 80.5 ± 0.5	MolXPT: Wrapping Molecules with Text for Generative Pre-training 2023-05-18	코드 1
Deep-CBN	ROC-AUC 75.8	Integrating convolutional layers and biformer network with forward-forward and backpropagation training 2025-02-28	코드 1
SMA	ROC-AUC 75.0	Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning 2024-02-22	코드 1
SPMM	ROC-AUC 73.3	Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model 2022-11-19	코드 1
Uni-Mol	ROC-AUC 72.9	Uni-Mol: A Universal 3D Molecular Representation Learning Framework 2022-09-08	코드 1
Uni-Mol	ROC-AUC 72.9	Galactica: A Large Language Model for Science 2022-11-16	코드 1
ChemBERTa-2 (MTR-77M)	ROC-AUC 72.8	ChemBERTa-2: Towards Chemical Foundation Models 2022-09-05	코드 1 · 코드 2
ChemRL-GEM	ROC-AUC 72.4	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction 2021-06-11	연결 없음
D-MPNN	ROC-AUC 71.0	Analyzing Learned Molecular Representations for Property Prediction 2019-04-02	코드 1 · 코드 2 · 코드 3 · 코드 4
GROVER (base)	ROC-AUC 70.0	Self-Supervised Graph Transformer on Large-Scale Molecular Data 2020-06-18	코드 1 · 코드 2 · 코드 3
N-GramRF	ROC-AUC 69.7	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 2018-06-24	코드 1
GROVER (large)	ROC-AUC 69.5	Self-Supervised Graph Transformer on Large-Scale Molecular Data 2020-06-18	코드 1 · 코드 2 · 코드 3
N-GramXGB	ROC-AUC 69.1	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 2018-06-24	코드 1
PretrainGNN	ROC-AUC 68.7	Strategies for Pre-training Graph Neural Networks 2019-05-29	코드 1 · 코드 2 · 코드 3 · 코드 4 · 코드 5 · 코드 6 · 코드 7 · 코드 8 · 코드 9 · 코드 10 · 코드 11
GAL 120B	ROC-AUC 66.1	Galactica: A Large Language Model for Science 2022-11-16	코드 1
GAL 1.3B	ROC-AUC 60.4	Galactica: A Large Language Model for Science 2022-11-16	코드 1
GAL 30B	ROC-AUC 59.6	Galactica: A Large Language Model for Science 2022-11-16	코드 1
GAL 6.7B	ROC-AUC 53.5	Galactica: A Large Language Model for Science 2022-11-16	코드 1
GAL 125M	ROC-AUC 39.3	Galactica: A Large Language Model for Science 2022-11-16	코드 1