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Molecular Property Prediction

태스크의 하위 분류와 논문·코드·평가·기법·데이터셋을 탐색하세요.

전체 기법 전체 데이터셋

하위 태스크: 4
평가표: 18
보존된 평가 기록: 224

Molecular property prediction is the task of predicting the properties of a molecule from its structure.

코드

관련 논문과 평가 결과에 연결된 구현입니다. 출처에서 확인된 저자 구현에는 공식 코드 표시가 있습니다.

https://github.com/hld67890/prml2020_pj

Strategies for Pre-training Graph Neural Networks

https://github.com/igorsterner/commute-opt-gnn

How Powerful are Graph Neural Networks?

https://github.com/isotlaboratory/ml4vrp

Graph Attention Networks

https://github.com/jacquesboitreaud/DeepFRED

Strategies for Pre-training Graph Neural Networks

https://github.com/jacquesboitreaud/rna_ne

Strategies for Pre-training Graph Neural Networks

https://github.com/jbr-ai-labs/lipophilicity-prediction

Analyzing Learned Molecular Representations for Property Prediction

https://github.com/jiangboahu/glcn-tf

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/jiangshunyu/SMF-GIN

Structure-Enhanced Meta-Learning For Few-Shot Graph Classification

https://github.com/jianzhnie/AutoTabular

AutoGluon-Tabular: Robust and Accurate AutoML for Structured Data

https://github.com/jim-schwoebel/allie

AutoGluon-Tabular: Robust and Accurate AutoML for Structured Data

https://github.com/joaopedromattos/gnee

Graph Attention Networks

https://github.com/k4my4r/ECG-Classification

How Powerful are Graph Neural Networks?

https://github.com/keyhsw/chemllm

ChemLLM: A Chemical Large Language Model

https://github.com/kiharalab/gnn_pocket

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/koryako/selfcarRaspberryPi

Learning 6-DOF Grasping Interaction via Deep Geometry-aware 3D Representations

https://github.com/labmlai/annotated_deep_learning_paper_implementations

Graph Attention Networks

https://github.com/lechengkong/oneforall

MoleculeNet: A Benchmark for Molecular Machine Learning

https://github.com/leffff/any-domain-pretrain-gnns

Strategies for Pre-training Graph Neural Networks

https://github.com/lipingcoding/pygcn

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/liu6zijian/simplified-gcn-model

Graph Attention Networks

https://github.com/longodj/tcvaemolgen

Path-Augmented Graph Transformer Network

https://github.com/lucidrains/equiformer-pytorch

Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

https://github.com/luis-mueller/wl-transformers

Pure Transformers are Powerful Graph Learners

https://github.com/machadoprx/GATv2-TensorFlow2

How Attentive are Graph Attention Networks?

https://github.com/machinelearninglifescience/poli

GuacaMol: Benchmarking Models for De Novo Molecular Design

https://github.com/mahendrathapa/graph-convolution-network

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/mahequn001/graphlearning/tree/master/model_zoo/gatv2

How Attentive are Graph Attention Networks?

https://github.com/mahequn001/graphlearning/tree/master/model_zoo/gcn

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/mahsa91/GKD

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/mahsa91/RA-GCN

Semi-Supervised Classification with Graph Convolutional Networks

https://github.com/maplightrx/maplight-tdc

Strategies for Pre-training Graph Neural Networks

https://github.com/marble0117/GNN_models_pytorch

Graph Attention Networks

https://github.com/marble0117/GNN_models_pytorch_geometric

Graph Attention Networks

https://github.com/marblet/GNN_models_pytorch_geometric

Graph Attention Networks

https://github.com/marblet/gat-pytorch

Graph Attention Networks

https://github.com/meliketoy/graph-cnn.pytorch

Semi-Supervised Classification with Graph Convolutional Networks

출처: Papers with Code · CC BY-SA 4.0. 아카이브 자료와 새로 수집한 논문은 별도로 관리합니다.