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  • University of Kentucky
  • Lexington, KY, USA

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  1. rynosm rynosm Public

    A set of scripts and programs that I have developed for my personal use for Electronic Structure and Molecular Dynamics simulations.

    Python 2

  2. DoSPT DoSPT Public

    Repository for the modified DoSPT code in our paper titled "Determination of the Free Energies of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach"

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  3. mod_org mod_org Public

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    Accurate Neural Network Potential on PyTorch

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  5. LanczosNetwork LanczosNetwork Public

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    Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019

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  6. aws-plugin-for-slurm aws-plugin-for-slurm Public

    Forked from aws-samples/aws-plugin-for-slurm

    A sample integration of AWS services with SLURM

    Shell