ParticleGrid: Enabling Deep Learning using 3D Representation of Materials

1 code implementation • 15 Nov 2022 • Shehtab Zaman, Ethan Ferguson, Cecile Pereira, Denis Akhiyarov, Mauricio Araya-Polo, Kenneth Chiu

We propose $\textit{ParticleGrid}$, a SIMD-optimized library for 3D structures, that is designed for deep learning applications and to seamlessly integrate with deep learning frameworks.

Property Prediction