Parent: [514ed2]
added | .gitignore |
added | LICENCE |
added | README.md |
added | example.py |
added | gnn/__init__.py |
added | gnn/aggregation_mpnn.py |
added | gnn/aggregation_mpnn_implementations.py |
added | gnn/emn.py |
added | gnn/emn_implementations.py |
added | gnn/graph_features.py |
added | gnn/modules.py |
added | gnn/molgraph_data.py |
added | gnn/summation_mpnn.py |
added | gnn/summation_mpnn_implementations.py |
added | losses.py |
added | predict.py |
added | tests/__init__.py |
added | tests/gnn_test_case.py |
added | tests/test_example.py |
added | tests/test_implementations.py |
added | toydata/piece-of-esol.csv.gz |
added | toydata/piece-of-tox21-test.csv.gz |
added | toydata/piece-of-tox21-train-for-prediction.csv.gz |
added | toydata/piece-of-tox21-train.csv.gz |
added | toydata/piece-of-tox21-valid.csv.gz |