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GNN_QMdataset
GNN_QMdataset PublicAtomisation Energy Prediction using Graph Neural Network
Jupyter Notebook
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Data-Engineering
Data-Engineering PublicProjects in Udacity Data engineering NanoDegree program
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ML-Molecular-Science
ML-Molecular-Science PublicData science in Molecular science problems
Jupyter Notebook
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DrawEnergyProfile
DrawEnergyProfile Publicpython package for plotting energy profiles of reactions as per publication's standards
Python 1
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