Home
Information

AI Dataset Collection

Large-scale datasets and benchmarks for training, evaluating, and testing models to measure

Tools

Intelligent Document Recognition

Comprehensive Text Extraction and Document Processing Solutions for Users

AI Tutorial

MolKGNN

Public

MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. conformation-invariance 3. interpretability. MolKGNN uses a novel molecular convolution to leverage the similarity of molecular neighborhood and kernels. It shows superior results in realistic drug discovery datasets.

Creat2022-01-21T04:16:05
Update2025-01-25T11:49:05
13
Stars
0
Stars Increase