GitHub

microsoft/tf2-gnn: TensorFlow 2 library implementing Graph Neural Networks

Implementation and example training scripts of various flavours of graph neural network in TensorFlow 2.0. Much of it is based on the code in the tf-gnn-samples repo. The code is maintained by the ...
GitHub

Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks

Run python preprocess.py to construct HM-graph for TUDataset. Change the parameter of drop_node() function in the ops.py to drop noises in the motif dictionary. Run python preprocess_hiv.py and python ...
C&EN

Graph-Based Approach to Systematic Molecular Coarse-Graining

Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States Institute for Molecular Engineering and Materials Science Division, Argonne National Laboratory, ...
C&EN

A Simple Representation of Three-Dimensional Molecular Structure

† Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, 675 Nelson Rising Lane NS 416A, San Francisco, California 94143, United States ‡ Department of ...
Frontiers

Dipy, a library for the analysis of diffusion MRI data

Diffusion Imaging in Python (Dipy) is a free and open source software project for the analysis of data from diffusion magnetic resonance imaging (dMRI) experiments. dMRI is an application of MRI that ...
Frontiers

MEG and EEG data analysis with MNE-Python

Magnetoencephalography and electroencephalography (M/EEG) measure the weak electromagnetic signals generated by neuronal activity in the brain. Using these signals to characterize and locate neural ...