/tools/AIMNet-X2D

AIMNet-X2D

isayevlab/AIMNet-X2D

12 stars0 forksPythonAdded February 8, 2026
summary

AIMNet-X2D is a scalable Graph Neural Network framework that enables multi-task learning for predicting various molecular properties. It is designed to handle datasets of varying sizes efficiently and supports the creation of domain-specific molecular foundation models.

description

Scalable 2D GNN framework for molecular property prediction

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