/tools/Drug3D-Net

Drug3D-Net

anny0316/Drug3D-Net

32 stars6 forksPythonAdded February 8, 2026
summary

Drug3D-Net is a tool that implements a spatial-temporal gated attention module for predicting molecular properties based on molecular geometry. It includes datasets for various molecular properties, making it useful for researchers in computational chemistry and drug discovery.

description

A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry

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