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Author:
Austin M. Wallace
License:
MIT
Summary:
Package for creating QC ML models on QCArchive datasets. The AP-Net2 has been re-implemnented in PyTorch with newer versions to come.
Latest version:
0.1.0
Required dependencies:
numpy
|
pytorch-minimize
|
qcelemental
|
qcportal
|
qm-tools-aw
|
torch
|
torch-geometric
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