MolGraph: a Python package for the implementation of small molecular graphs and graph neural networks with TensorFlow and Keras.
Alexander KensertGert DesmetDeirdre CabooterPublished in: CoRR (2022)
Keyphrases
- neural network
- graph representation
- graph theory
- directed graph
- graph matching
- graph databases
- graph model
- weighted graph
- graph structure
- graph construction
- graph theoretic
- graph theoretical
- labeled graphs
- graph mining
- open source
- graph partitioning
- series parallel
- graph classification
- adjacency matrix
- bipartite graph
- spanning tree
- structural pattern recognition
- subgraph isomorphism
- graph embedding
- graph search
- pattern recognition
- random graphs
- graph clustering
- minimum spanning tree
- neighborhood graph
- maximum common subgraph
- graph transformation
- graph properties
- maximum cardinality
- planar graphs
- programming language
- graph kernels
- maximum clique
- seed set
- artificial neural networks
- object oriented
- graph isomorphism
- graph representations
- polynomial time complexity
- reachability queries
- dense subgraphs
- graph layout
- attributed graphs
- back propagation
- web graph
- finding the shortest path
- graph data
- connected dominating set