Popular repositories Loading

1. OpenMacromolecularGenome OpenMacromolecularGenome Public

   Python 13 3

2. ECG_ActiveLearning ECG_ActiveLearning Public

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

   Python 6

3. Anisotropic_CG_ConjPoly_Model Anisotropic_CG_ConjPoly_Model Public

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

   Python 3

4. ClosedLoopTransfer ClosedLoopTransfer Public

   Python 1

5. gECG_thiophene gECG_thiophene Public

   Code for Generalized ECG for thiophene polymers paper

   Python 1

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