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ORNL
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HydraGNN
Distributed PyTorch implementation of multi-headed graph convolutional neural networks
BSD 3-Clause "New" or "Revised" License
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Graph heads ci tests
#208
allaffa
closed
7 months ago
10
Log 2023 qm9 example update
#207
frobnitzem
closed
10 months ago
0
Tensor Core enabled for mixed precision on GPUs that allow it
#206
allaffa
opened
11 months ago
3
ADIOS ImportError is being ignored
#205
kshitij-v-mehta
closed
4 months ago
3
Update README.md
#204
allaffa
closed
12 months ago
0
qm9 example for LOG2023
#203
pzhanggit
closed
1 year ago
0
abstractrawdataset updated
#202
allaffa
closed
1 year ago
4
Fix for pypi upload
#201
jychoi-hpc
closed
1 year ago
0
unsorted_segment_mean function moved to hydragnn/utils/model.py
#200
allaffa
closed
1 year ago
0
Update README.md
#199
allaffa
closed
1 year ago
0
Update README.md
#198
allaffa
closed
1 year ago
0
Update README.md with QR code
#197
allaffa
closed
1 year ago
0
empty test loaded
#196
allaffa
closed
1 year ago
0
activation function treated as hyperparameter
#195
allaffa
closed
1 year ago
1
Incorporating Equivariance
#194
JustinBakerMath
closed
1 year ago
8
Include templating infrastructure for Hierarchical Community-aware Graph Neural Network (HC-GNN)
#193
allaffa
opened
1 year ago
0
restructure pre-process data utils
#192
allaffa
closed
1 year ago
0
pickle and ADIOS2 formatting fixed for OGB dataset
#191
allaffa
closed
1 year ago
1
utilies to update data objects moved to utils
#190
allaffa
closed
1 year ago
3
Use Adios BP4
#189
jychoi-hpc
closed
1 year ago
4
call to data transforms fixed
#188
allaffa
closed
1 year ago
3
Checkpoint Training Model
#187
JustinBakerMath
closed
1 year ago
2
EGNN Model
#186
JustinBakerMath
closed
1 year ago
0
Incorporate EGNN model
#185
JustinBakerMath
closed
1 year ago
2
Implementation of DimeNet++
#184
JustinBakerMath
closed
1 year ago
0
Flexible architecture naming convention
#183
JustinBakerMath
closed
1 year ago
0
Minimum Requirement for Scatter
#182
JustinBakerMath
closed
1 year ago
1
Init examples on cpu for memory pinning
#181
JustinBakerMath
closed
1 year ago
1
gather_deg_dist needs to map 'deg' variable to GPUs before calling NCCL gathering operations
#180
allaffa
closed
1 year ago
1
Black + Click Version Controlling
#179
JustinBakerMath
closed
1 year ago
0
DimeNet Model
#178
JustinBakerMath
closed
1 year ago
2
Atomic descriptor torch smiles
#177
allaffa
closed
1 year ago
1
update number of neighbors for PNA degree
#176
pzhanggit
closed
1 year ago
3
Smiles utils includes atomic descriptor object as optional argument
#175
allaffa
closed
1 year ago
1
Smiles utils edge length
#174
allaffa
closed
1 year ago
0
Update on DDStore
#173
jychoi-hpc
closed
1 year ago
1
manually setting num gaussians and filters
#172
allaffa
closed
1 year ago
6
Added SchNet model as SCFStack
#171
JustinBakerMath
closed
1 year ago
0
Separate handling of conv args
#170
JustinBakerMath
closed
1 year ago
1
data.edge_index used in forward method of Base class
#169
allaffa
closed
1 year ago
0
DDStore integration
#168
jychoi-hpc
closed
1 year ago
1
Eam restructuring
#167
allaffa
closed
1 year ago
0
Stop training if val_loss is not decreasing
#166
pzhanggit
closed
1 year ago
0
skip connection option added
#165
allaffa
closed
1 year ago
6
Skip connection for ResNet type of GNN
#164
allaffa
opened
1 year ago
2
Adding dataset class
#163
jychoi-hpc
closed
1 year ago
5
Minor fix for lsms
#162
jychoi-hpc
closed
1 year ago
0
RawDatasetLoader turned into abstract class
#161
allaffa
closed
1 year ago
2
Revert and improve "update filename in md17 since url broken"
#160
pzhanggit
closed
1 year ago
0
update filename in md17 since url broken
#159
pzhanggit
closed
1 year ago
4
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