A pre-trained convolutional neural network was fine-tuned for three separate classification tasks, distinguishing 2D images of: 1) single amino acids, 2) protein structural ball and stick images of metalloproteins, and 3) protein structural ball and stick images of metalloenzymes with the metal cofactors removed. Images used in the training, testing and validation are shared here.
Acknowledgement: This work is supported by the PNNL Laboratory Directed Research and Development (LDRD) program
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PACIFIC NORTHWEST NATIONAL LABORATORY
UNITED STATES DEPARTMENT OF ENERGY
under Contract DE-AC05-76RL01830