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Rajendra P. Joshi

Pacific Northwest National Laboratory

5

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3D-Scaffold: A Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds.

2021 Journal of Physical Chemistry B
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Machine Learning Screening of Metal-Ion Battery Electrode Materials.

2021 ACS Applied Materials & Interfaces
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3D-Scaffold: Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds

2021 bioRxiv
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ACCURATE PREDICTION OF VOLTAGE OF BATTERY ELECTRODE MATERIALS USING ATTENTION BASED GRAPH NEURAL NETWORKS

2021 ChemRxiv
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Quantum Mechanical Methods Predict Accurate Thermodynamics of Biochemical Reactions

2021
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