IEEE

MHGCN: A Multi-Channel Hybrid Graph Convolutional Neural Network for Cancer Drug Response Prediction

Abstract: Due to the heterogeneity of cancer cells, personalized treatment plans for cancer patients remain a continuous concern. High-throughput drug screening technology has led to the development ...
C&EN

Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials

Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States Department of Chemistry, Carnegie Mellon University, 5000 ...
GitHub

visualkeras for Keras / TensorFlow

If you find this project helpful for your research please consider citing it in your publication as follows. @misc{Gavrikov2020VisualKeras, author = {Gavrikov, Paul and Patapati, Santosh}, title = ...
C&EN

NN-VRCTST: Neural Network Potentials Meet Variable Reaction Coordinate Transition State Theory for the Rate Constant Determination of Barrierless Reactions

MOX, Modeling and Scientific Computing, Dipartimento di Matematica, Politecnico di Milano, 20133 Milano, Italy ...
IEEE

Multigranularity Deep Graph Convolutional Neural Network Node Clustering Leveraging Spatial Information

Abstract: In the era of information explosion, clustering analysis of graph-structured data and empty graph-structured data is of great significance for extracting the intrinsic value of data. From ...