allaffa/gcnn issues and pull requests

#125 - Point users to new repo

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

#124 - Fixes two errors that are encountered on Summit on 24 GPUs

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

#123 - Add license and rename to HydraGNN

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

#122 - Reduce unit tests on GHA

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

#121 - utils/distributed_environment.py

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

#120 - PNN renamed to PNA in all configuration files inside examples/

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

#119 - Relax tolerance multihead gin

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

#118 - Remove print for non-MPI run

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

#117 - torch.distribued is now always instantiated

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

#116 - Fix configure file typo

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

#115 - Using 16-bit Floats

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

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

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

#113 - Output test results in CI

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

#112 - Add pip list output to CI

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

#111 - Add edge length

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

#110 - [skip ci] Update readme to remove hyperparameter optimization

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

#109 - timer class customized for multiprocessing

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

#108 - fixup: verbosity distributed print

Pull Request - State: closed - Opened by allaffa about 3 years ago - 5 comments

#107 - removed unnecessary import

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

#106 - Fixes for Summit

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

#105 - Features for rotation invariance

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

#104 - Unit tests for rotation invariance

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

#103 - Unit tests for translation invariance

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

#102 - fixup: Do not rebuild test data by default

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

#101 - add capability for explicit train/test/validate paths

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

#100 - Add pickle to main requirements and remove igraph

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

#99 - Test with external datasets

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

#98 - Add missing import

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

#97 - Verbosity distributed print

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

#96 - Import data loader for different torch_geometric versions

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

#95 - Change name of model from PNN to PNA in examples/configuration.json

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

#94 - Prints that engage different number of MPI processes based on verbosity level

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

#93 - Do not rebuild test data by default

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

#92 - reduced number of data samples

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

#91 - Use dist.is_init and check torch.is_nccl_available

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

#90 - torch.distributed functions called explicitly

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

#89 - Model cleanup

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

#89 - Model cleanup

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

#88 - Fix deprecation warnings

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

#87 - UserWarning: 'data.DataLoader' is deprecated, use 'loader.DataLoader' instead

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

#86 - aggregating nodal features in unit tests

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

#85 - WIP Multiple graph sizes

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

#84 - Add model CGCNN (Crystal Graph Convolutional Neural Networks)

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

#83 - WIP add XYZ format and QM9 example

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

#82 - CuAu dataset bugfix

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

#81 - GAT improvement: GAT to GATv2

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

#80 - Fix normalization indexing bug

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

#79 - CuAu dataset error

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

#78 - Version requirements

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

#77 - Model implementation improvement

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

#76 - Fixup readme

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

#75 - Remove SERIALIZED_DATA_PATH

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

#74 - Update readme and add contributing

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

#73 - Rearrange to module structure

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

#72 - Keep colinear neighbors

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

#71 - Remove command line input option

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

#70 - Test example config syntax in CI

Issue - State: closed - Opened by streeve about 3 years ago - 5 comments

#69 - fixup a bug in configuration.json

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

#68 - Unit test size not set with config

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

#67 - Add models

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

#66 - General improvement part3: separate NN structure for graph and node level output

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

#65 - Remove dataset

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

#64 - README out of date

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

#63 - Fixup writer on multiple ranks

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

#62 - Fix GIN model issue

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

#61 - Fix data loader bug

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

#60 - General code improvement part 2

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

#59 - torch.distributed.get_rank() + torch.distributed.get_world_size()

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

#58 - torch.distributed.is_mpi_available() + torch.distributed.is_nccl_available()

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

#57 - Equivalent of MPI Initialize + MPI_Finalize for Distributed Data Parallelism

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

#56 - save state if-then-else fixed

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

#55 - Fix unit test

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

#54 - Change generation of random graph in unit test

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

#53 - General code improvement

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

#52 - Create function that returns model.module

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

#51 - Hierarchical input file

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

#50 - Only reinstall dependencies if cache not found

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

#49 - Upgrade pip cache

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

#48 - Fix cache (again)

Issue - State: closed - Opened by streeve over 3 years ago

#47 - Increase test node count

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

#46 - added check if dist is initialized

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

#45 - Run without MPI

Issue - State: closed - Opened by streeve over 3 years ago
Labels: bug

#44 - Remove large files from git history

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

#43 - Fixup serialized data creation

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

#42 - Updates for using multi-nodes on Summit

Pull Request - State: closed - Opened by jychoi-hpc over 3 years ago - 10 comments

#42 - Updates for using multi-nodes on Summit

Pull Request - State: closed - Opened by jychoi-hpc over 3 years ago - 10 comments

#41 - setup python virtual environment for GCNN on cades condo

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

#41 - setup python virtual environment for GCNN on cades condo

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

#40 - Mpi4py

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

#40 - Mpi4py

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

#39 - Re-add Optional output normalization

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

#39 - Re-add Optional output normalization

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

#38 - Revert "Optional output normalization"

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

#38 - Revert "Optional output normalization"

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

#37 - Optional output normalization

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

#36 - Ignore mac file

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

#35 - Initial unit tests

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

GitHub / allaffa/gcnn issues and pull requests