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Popular repositories Loading

  1. OpenMacromolecularGenome OpenMacromolecularGenome Public

    Python 14 3

  2. ECG_ActiveLearning ECG_ActiveLearning Public

    Dataset and code for "Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning"

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  3. Anisotropic_CG_ConjPoly_Model Anisotropic_CG_ConjPoly_Model Public

    LAMMPS Implementation of the anisotropic coarse-grained model for conjugated polymers

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  4. ClosedLoopTransfer ClosedLoopTransfer Public

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  5. gECG_thiophene gECG_thiophene Public

    Code for Generalized ECG for thiophene polymers paper

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  6. DKL_ECG DKL_ECG Public

    Code for DKL-ECG implementation in "Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes"

    Jupyter Notebook