Pinned Repositories
AP-Net
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
chembibrename
Chemistry reference renamer for .bib files
eddie-ml
Python code for machine learning the dimer interaction energy using the electron deformation density.
solv_gnn
GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
lowkc's Repositories
lowkc/solv_gnn
GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
lowkc/eddie-ml
Python code for machine learning the dimer interaction energy using the electron deformation density.
lowkc/AP-Net
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
lowkc/chembibrename
Chemistry reference renamer for .bib files