Applying ML, MD and Data Science to develop solutions in chemistry of materials
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Bandgap_Model
Bandgap_Model PublicMachine learning project for bandgap prediction using theoretical descriptors, CNN-extracted features and adversarial training (FGSM).
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Atomic_Array2.0
Atomic_Array2.0 PublicAttention-driven deep learning applied to atomic arrays for modeling electronic properties of solid-state materials.
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