Data for "Predicting aggregate morphology of sequence-defined macromolecules with Recurrent Neural Networks"
Debjyoti Bhattacharya, Devon C. Kleeblatt, Antonia Statt, Wesley F. Reinhart · Zenodo (CERN European Organization for Nuclear Research) · 2022
These are the data associated with the paper, "Predicting aggregate morphology of sequence-defined macromolecules with Recurrent Neural Networks" (DOI 10.1039/D2SM00452F). Three of the directories contains subdirectories with `GSD` files dumped from HOOMD. The other contains pretrained RNN models as TorchScript binaries exported from PyTorch.