HyperAI초신경

홈 뉴스 연구 논문 튜토리얼 데이터셋 백과사전 SOTA LLM 모델 GPU 랭킹 컨퍼런스

한국어

HyperAI초신경

Molecular Property Prediction On

평가 지표

RMSE

평가 결과

이 벤치마크에서 각 모델의 성능 결과

모델 이름	RMSE	Paper Title	Repository
N-GramRF	0.812	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
SMA	0.609	Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning
ChemBERTa-2 (MTR-77M)	0.798	ChemBERTa-2: Towards Chemical Foundation Models
GROVER (large)	0.823	Self-Supervised Graph Transformer on Large-Scale Molecular Data
D-MPNN	0.683	Analyzing Learned Molecular Representations for Property Prediction
N-GramXGB	2.072	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
GROVER (base)	0.817	Self-Supervised Graph Transformer on Large-Scale Molecular Data
SPMM	0.706	Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model
Uni-Mol	0.603	Uni-Mol: A Universal 3D Molecular Representation Learning Framework	-
ChemBFN	0.746	A Bayesian Flow Network Framework for Chemistry Tasks
S-CGIB	0.762±0.042	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck	-
ChemRL-GEM	0.66	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction	-
PretrainGNN	0.739	Strategies for Pre-training Graph Neural Networks

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