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🚀 Your next Python package needs a bleeding-edge project structure.
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HIgh performence computing Job Array Creator (HiJAC)
This is tutorials for applying basic TensorFlow functions.
The most cited deep learning papers
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
Quantum graph neural network (quantum GNN) for molecular property prediction.
jenniening / PhysNet
Forked from MMunibas/PhysNetCode for training PhysNet models
This is a deep learning model used to predict molecular energy
This is a repository for learning pytorch tutorials
This is a project for steam game owners prediction
This is Airline analysis for NYC airports presented in 1st Data Science for All: Woman's Summit
This is a machine-learning based protein-ligand scoring function.