ORNL/HydraGNN

Issues

• incorporation of HIP-NN type convolutions

  #294 opened a month ago by lubbersnick
  0

• ADIOS ImportError is being ignored

  #205 opened 4 months ago by kshitij-v-mehta
  3

• Check that NLL still works

  #14 opened 3 years ago by allaffa
  2

• pickle5 dependency is no longer needed in setup.py

  #265 opened 4 months ago by Lance-Drane
  1

• tutorial questions

  #246 opened 7 months ago by jinz2014
  1

• AttributeError: module 'adios2' has no attribute 'open'

  #243 opened 7 months ago by jinz2014
  4

• Implement Global attention mechanism

  #237 opened 8 months ago by akhilpandey95
  1

• Implement skip connections using the JumpingKnowledge pyg module

  #235 opened 8 months ago by akhilpandey95
  0

• Repository sanitization and pathway for automatic deployment of docs

  #236 opened 8 months ago by akhilpandey95
  0

• Use 16-bit Floats

  #26 opened 8 months ago by allaffa
  1

• Test with external datasets

  #5 opened 8 months ago by streeve
  1

• Unit test for data loading

  #121 opened 8 months ago by streeve
  1

• Check if graph/node features not defined

  #120 opened 8 months ago by streeve
  1

• Remove SERIALIZED_DATA_PATH

  #4 opened 8 months ago by streeve
  2

• Add edge features and invariances

  #2 opened 8 months ago by streeve
  1

• Project contribution

  #212 opened 9 months ago by akhilpandey95
  2

• Skip connection for ResNet type of GNN

  #164 opened 2 years ago by allaffa
  2

• Include templating infrastructure for Hierarchical Community-aware Graph Neural Network (HC-GNN)

  #193 opened a year ago by allaffa
  0

• Directional graphs

  #28 opened a year ago by allaffa
  1

• Add SchNet as additional convolutional layer

  #47 opened 2 years ago by allaffa
  0

• Add additional descriptors

  #126 opened 2 years ago by streeve
  1

• Clean up visualizer

  #125 opened 3 years ago by pzhanggit
  0

• CPU mode for profiling tools

  #141 opened 2 years ago by pzhanggit
  0

• Specify device_ids in torch.distributed.barrier()

  #16 opened 2 years ago by allaffa
  1

• One-hot encoding representation of the proton number

  #52 opened 2 years ago by allaffa
  1

• Support MPI backend

  #101 opened 2 years ago by streeve
  1

• Support file glob inputs

  #122 opened 2 years ago by streeve
  1

• Customize formatting

  #123 opened 2 years ago by streeve
  1

• Print log and save results only at rank 0

  #137 opened 2 years ago by pzhanggit
  0

• Map data from CPU to GPU batch by batch if the total dataset is too large to fit onto the GPU

  #88 opened 2 years ago by allaffa
  1

• ALIGNN model implementation using built-in LineGraph Data Transformation capabilities

  #131 opened 3 years ago by allaffa
  0

• Add new config unit test

  #51 opened 3 years ago by streeve
  6

• Introduce table with information for each element of the periodic table

  #46 opened 3 years ago by allaffa
  2

• Add periodicity

  #3 opened 3 years ago by streeve
  0

• Add linting

  #91 opened 3 years ago by streeve
  0

• [Feature Request 🚀] Add a `CITATION.cff`

  #83 opened 3 years ago by SauravMaheshkar
  1

• Add pre-commit to make contributing easy.

  #75 opened 3 years ago by SauravMaheshkar
  1

• Enable interactive plots

  #74 opened 3 years ago by streeve
  0

• Use DFT data for unit test

  #72 opened 3 years ago by allaffa
  1

• Cross-validation capabilities

  #62 opened 3 years ago by allaffa
  0

• Load serialized *pkl files directly

  #39 opened 3 years ago by pzhanggit
  0

• Allow Hydragnn models to be build with embedding layers for node and edge features

  #33 opened 3 years ago by allaffa
  0

• Move and close issues from previous repo

  #1 opened 3 years ago by streeve
  1

• TORCH_GEOMETRIC.TRANSFORMS

  #29 opened 3 years ago by allaffa
  0

• GPUtil package can be used to monitor utilization of the GPU

  #27 opened 3 years ago by allaffa
  0

• Add boolean flag to model stack to choose between classification and regression

  #24 opened 3 years ago by allaffa
  0

• Error when running the prediction

  #20 opened 3 years ago by seheracer
  2