HyperAI超神经

首页算力平台文档资讯论文教程数据集百科 SOTA LLM 模型天梯 GPU 天梯顶会

中文

HyperAI超神经

Molecular Property Prediction On

评估指标

RMSE

评测结果

各个模型在此基准测试上的表现结果

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

0 of 13 row(s) selected.

Molecular Property Prediction On | SOTA | HyperAI超神经