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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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check on forces applied to ani1x
#258
allaffa
closed
5 months ago
0
check on forces added to MPTrj example
#257
allaffa
closed
5 months ago
0
OC2022 check forces
#256
allaffa
closed
5 months ago
1
ADIOS2 fix suggested by Jong
#255
allaffa
closed
5 months ago
0
added sigmoid activation function
#254
erdemcaliskan
closed
5 months ago
2
OC2020 check forces
#253
allaffa
closed
5 months ago
6
Qm7x check forces
#252
allaffa
closed
5 months ago
0
Fix for runtime error for missing host-to-device copy
#251
jychoi-hpc
closed
5 months ago
0
Enhancement: model-agnostic layer-wise checkpointing
#250
LemonAndRabbit
closed
5 months ago
0
Fix: no return value of get_summary_writer
#249
LemonAndRabbit
closed
5 months ago
0
Removed pickle5 requirement from setup.py
#248
erdemcaliskan
closed
5 months ago
1
Add cudasync
#247
jychoi-hpc
closed
5 months ago
1
tutorial questions
#246
jinz2014
closed
6 months ago
1
Minor updates on DDStore and remaining time checking
#245
jychoi-hpc
closed
6 months ago
1
bug fixed
#244
allaffa
closed
6 months ago
1
AttributeError: module 'adios2' has no attribute 'open'
#243
jinz2014
closed
6 months ago
4
Alexandria dataset
#242
allaffa
closed
6 months ago
0
Fixes made during GB24
#241
jychoi-hpc
closed
7 months ago
0
requirements-optional updated
#240
allaffa
closed
7 months ago
0
Updating HPO for Perlmutter
#239
jychoi-hpc
closed
7 months ago
0
flipped sign in validation loss functions return by HPO trials
#238
allaffa
closed
7 months ago
0
Implement Global attention mechanism
#237
akhilpandey95
opened
7 months ago
1
Repository sanitization and pathway for automatic deployment of docs
#236
akhilpandey95
opened
7 months ago
0
Implement skip connections using the JumpingKnowledge pyg module
#235
akhilpandey95
opened
7 months ago
0
Adding weak-scaling option for multidataset
#234
jychoi-hpc
closed
7 months ago
0
Update HPO based on multi
#233
jychoi-hpc
closed
7 months ago
0
Multidataset update
#232
jychoi-hpc
closed
7 months ago
0
Update on HPO runs
#231
jychoi-hpc
closed
7 months ago
0
Merging multiple PNA deg for multi dataset
#230
jychoi-hpc
closed
7 months ago
0
pyg_lib corrected into pyg-lib
#229
allaffa
closed
7 months ago
0
Fix for nbatch error
#228
jychoi-hpc
closed
7 months ago
0
fim headlayers added and HYDRAGNN_VALTEST set to 1 in the deephyper p…
#227
allaffa
closed
7 months ago
0
Remove multi_process_list option in multidataset
#226
jychoi-hpc
closed
7 months ago
0
Multi hpo case using deephyper
#225
jychoi-hpc
closed
7 months ago
0
Fix for multidataset case
#224
jychoi-hpc
closed
7 months ago
0
train and HPO python scripts added for GFM testcase
#223
allaffa
closed
7 months ago
0
json files added
#222
allaffa
closed
7 months ago
0
Add multi dataset option for GB24
#221
jychoi-hpc
closed
7 months ago
0
upgrade pyg 2.5.2
#220
jychoi-hpc
closed
7 months ago
0
Ani1x
#219
allaffa
closed
7 months ago
0
Testing hpo packages
#218
allaffa
closed
7 months ago
3
upgrade pyg 2.5.2
#217
jychoi-hpc
closed
7 months ago
1
Qm7x dataset
#216
allaffa
closed
7 months ago
2
Mptrj dataset
#215
allaffa
closed
8 months ago
0
Open catalyst 2022
#214
allaffa
closed
8 months ago
3
Minor fix for dataset
#213
jychoi-hpc
closed
8 months ago
0
Project contribution
#212
akhilpandey95
closed
8 months ago
2
Open catalyst
#211
allaffa
closed
8 months ago
2
Update software
#210
jychoi-hpc
closed
8 months ago
5
software dependencies updated
#209
allaffa
closed
8 months ago
2
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