Data processing method and device, equipment and storage medium

The invention is suitable for the technical field of data processing, and provides a data processing method and device, equipment and a storage medium, and the method comprises the steps: obtaining a target molecule set in a preset molecule data set based on a preset target scene; performing molecular physicochemical property prediction on the molecular data in the target molecular set to obtain a prediction output result; and on the basis of the prediction output result, screening target molecule data meeting molecular physicochemical indexes from the target molecule set.