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pypi.org "Graph Neural Network" keyword

deepx-dock 0.9.11
DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a...
8 versions - Latest release: 8 months ago - 71 downloads last month - 42 stars on GitHub - 1 maintainer
deepx-pack 1.0.6.post3
DeepH-pack is a general-purpose neural network package for deep-learning electronic structure cal...
3 versions - Latest release: 10 months ago - 33 downloads last month - 26 stars on GitHub - 1 maintainer
aviary-models 1.2.1
A collection of machine learning models for materials discovery
2 versions - Latest release: about 1 year ago - 334 downloads last month - 63 stars on GitHub - 1 maintainer
querent 3.1.2
The Asynchronous Data Dynamo and Graph Neural Network Catalyst
36 versions - Latest release: over 2 years ago - 217 downloads last month - 2 stars on GitHub - 1 maintainer
pygnn 0.0.1
1 version - Latest release: over 6 years ago - 1 dependent repositories - 144 downloads last month - 1 maintainer
graph-partition 0.1.16
Graph Partitioning Algorithms
17 versions - Latest release: over 4 years ago - 147 downloads last month - 1 maintainer