Ecosyste.ms: Issues

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GitHub / ornl/hydragnn issues and pull requests

#50 - Simplify model creation

Pull Request - State: closed - Opened by streeve almost 3 years ago - 1 comment

#50 - Simplify model creation

Pull Request - State: closed - Opened by streeve almost 3 years ago - 1 comment

#49 - correct val and test paths

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#49 - correct val and test paths

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#48 - Create helper functions

Pull Request - State: closed - Opened by streeve almost 3 years ago

#48 - Create helper functions

Pull Request - State: closed - Opened by streeve almost 3 years ago

#47 - Add SchNet as additional convolutional layer

Issue - State: closed - Opened by allaffa about 3 years ago

#47 - Add SchNet as additional convolutional layer

Issue - State: closed - Opened by allaffa about 3 years ago

#46 - Introduce table with information for each element of the periodic table

Issue - State: closed - Opened by allaffa about 3 years ago - 2 comments

#46 - Introduce table with information for each element of the periodic table

Issue - State: closed - Opened by allaffa about 3 years ago - 2 comments

#45 - Add scaled by num_nodes option for feature prediction in variable graph size

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: enhancement

#45 - Add scaled by num_nodes option for feature prediction in variable graph size

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: enhancement

#44 - add node type to configuration.json

Pull Request - State: closed - Opened by pzhanggit about 3 years ago - 7 comments

#44 - add node type to configuration.json

Pull Request - State: closed - Opened by pzhanggit about 3 years ago - 7 comments

#43 - output_denormalize treated as Boolean variable

Pull Request - State: closed - Opened by allaffa about 3 years ago
Labels: bug

#43 - output_denormalize treated as Boolean variable

Pull Request - State: closed - Opened by allaffa about 3 years ago
Labels: bug

#42 - Add torch.geometric datasets

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment
Labels: enhancement

#42 - Add torch.geometric datasets

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment
Labels: enhancement

#41 - Fix check on dataset being 'total'

Pull Request - State: closed - Opened by allaffa about 3 years ago

#41 - Fix check on dataset being 'total'

Pull Request - State: closed - Opened by allaffa about 3 years ago

#40 - Add loading pkl option

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: enhancement

#40 - Add loading pkl option

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: enhancement

#39 - Load serialized *pkl files directly

Issue - State: closed - Opened by pzhanggit about 3 years ago

#39 - Load serialized *pkl files directly

Issue - State: closed - Opened by pzhanggit about 3 years ago

#38 - Improve neighbor computing

Pull Request - State: closed - Opened by pzhanggit about 3 years ago

#38 - Improve neighbor computing

Pull Request - State: closed - Opened by pzhanggit about 3 years ago

#37 - structure examples directory with multiple subdirectories

Pull Request - State: closed - Opened by allaffa about 3 years ago - 3 comments

#37 - structure examples directory with multiple subdirectories

Pull Request - State: closed - Opened by allaffa about 3 years ago - 3 comments

#36 - comment added to explain use of Base constructor in CGCNN

Pull Request - State: closed - Opened by allaffa about 3 years ago

#36 - comment added to explain use of Base constructor in CGCNN

Pull Request - State: closed - Opened by allaffa about 3 years ago

#35 - Add torch_geometric datasets

Pull Request - State: closed - Opened by streeve about 3 years ago - 19 comments
Labels: enhancement

#35 - Add torch_geometric datasets

Pull Request - State: closed - Opened by streeve about 3 years ago - 19 comments
Labels: enhancement

#34 - Move tests to top level

Pull Request - State: closed - Opened by streeve about 3 years ago - 2 comments

#34 - Move tests to top level

Pull Request - State: closed - Opened by streeve about 3 years ago - 2 comments

#32 - Improve dataset loading

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: bug

#32 - Improve dataset loading

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: bug

#31 - Add edge length as input feature

Pull Request - State: closed - Opened by allaffa about 3 years ago

#31 - Add edge length as input feature

Pull Request - State: closed - Opened by allaffa about 3 years ago

#30 - RadiusGraph used to compute neighbors

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment

#30 - RadiusGraph used to compute neighbors

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment

#29 - TORCH_GEOMETRIC.TRANSFORMS

Issue - State: closed - Opened by allaffa about 3 years ago

#29 - TORCH_GEOMETRIC.TRANSFORMS

Issue - State: closed - Opened by allaffa about 3 years ago

#28 - Directional graphs

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#28 - Directional graphs

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#27 - GPUtil package can be used to monitor utilization of the GPU

Issue - State: open - Opened by allaffa about 3 years ago

#27 - GPUtil package can be used to monitor utilization of the GPU

Issue - State: open - Opened by allaffa about 3 years ago

#26 - Use 16-bit Floats

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#26 - Use 16-bit Floats

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#25 - setup file added

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments

#25 - setup file added

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments

#23 - Update unit test imports

Pull Request - State: closed - Opened by streeve about 3 years ago - 1 comment

#23 - Update unit test imports

Pull Request - State: closed - Opened by streeve about 3 years ago - 1 comment

#22 - Add denormalization option in run_predictions

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments
Labels: bug

#22 - Add denormalization option in run_predictions

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments
Labels: bug

#21 - fix a dispatch bug in run_prediction

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: bug

#21 - fix a dispatch bug in run_prediction

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: bug

#20 - Error when running the prediction

Issue - State: closed - Opened by seheracer about 3 years ago - 2 comments
Labels: bug

#20 - Error when running the prediction

Issue - State: closed - Opened by seheracer about 3 years ago - 2 comments
Labels: bug

#19 - fixup: check dist initialized

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment
Labels: bug

#19 - fixup: check dist initialized

Pull Request - State: closed - Opened by allaffa about 3 years ago - 1 comment
Labels: bug

#18 - Fix the two issues on Summit

Pull Request - State: closed - Opened by seheracer about 3 years ago
Labels: bug

#18 - Fix the two issues on Summit

Pull Request - State: closed - Opened by seheracer about 3 years ago
Labels: bug

#17 - Reduce training epochs

Pull Request - State: closed - Opened by streeve about 3 years ago

#17 - Reduce training epochs

Pull Request - State: closed - Opened by streeve about 3 years ago

#16 - Specify device_ids in torch.distributed.barrier()

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#16 - Specify device_ids in torch.distributed.barrier()

Issue - State: closed - Opened by allaffa about 3 years ago - 1 comment

#15 - Timers

Pull Request - State: closed - Opened by allaffa about 3 years ago - 3 comments

#15 - Timers

Pull Request - State: closed - Opened by allaffa about 3 years ago - 3 comments

#14 - Check that NLL still works

Issue - State: open - Opened by allaffa about 3 years ago - 2 comments

#14 - Check that NLL still works

Issue - State: open - Opened by allaffa about 3 years ago - 2 comments

#13 - Shared model initialization

Pull Request - State: closed - Opened by streeve about 3 years ago

#13 - Shared model initialization

Pull Request - State: closed - Opened by streeve about 3 years ago

#12 - Multi graph size

Pull Request - State: closed - Opened by pzhanggit about 3 years ago - 2 comments
Labels: enhancement

#12 - Multi graph size

Pull Request - State: closed - Opened by pzhanggit about 3 years ago - 2 comments
Labels: enhancement

#11 - Add edge lengths

Pull Request - State: closed - Opened by streeve about 3 years ago - 8 comments
Labels: enhancement

#10 - Remove temporary unit test JSON

Pull Request - State: closed - Opened by streeve about 3 years ago - 3 comments

#9 - moved gpu utils in their own separate file

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments

#8 - WIP: Multi graph size for node feature prediction

Pull Request - State: closed - Opened by pzhanggit about 3 years ago
Labels: enhancement

#7 - Fix missing import

Pull Request - State: closed - Opened by allaffa about 3 years ago - 2 comments
Labels: bug

#6 - Fix outout denormalize call

Pull Request - State: closed - Opened by allaffa about 3 years ago

#5 - Test with external datasets

Issue - State: closed - Opened by streeve about 3 years ago - 1 comment

#4 - Remove SERIALIZED_DATA_PATH

Issue - State: closed - Opened by streeve about 3 years ago - 2 comments

#3 - Add periodicity

Issue - State: closed - Opened by streeve about 3 years ago
Labels: enhancement

#2 - Add edge features and invariances

Issue - State: closed - Opened by streeve about 3 years ago - 1 comment
Labels: enhancement

#1 - Move and close issues from previous repo

Issue - State: closed - Opened by streeve about 3 years ago - 1 comment