diff --git a/configs/train.yaml b/configs/train.yaml index 1f05aba4..0bdd2097 100755 --- a/configs/train.yaml +++ b/configs/train.yaml @@ -4,7 +4,7 @@ # order of defaults determines the order in which configs override each other defaults: - _self_ - - dataset: ZINC # us_country_demos + - dataset: MUTAG # us_country_demos - model: cell/can #hypergraph/unignn2 #allsettransformer - evaluator: default - callbacks: default diff --git a/env.sh b/env.sh index 66f84654..fe8c8123 100755 --- a/env.sh +++ b/env.sh @@ -3,17 +3,18 @@ pip install --upgrade pip pip install -e '.[all]' -pip install git+https://github.com/pyt-team/TopoNetX.git -pip install git+https://github.com/pyt-team/TopoModelX.git -pip install git+https://github.com/pyt-team/TopoEmbedX.git - -CUDA="cu121" # if available, select the CUDA version suitable for your system - # e.g. cpu, cu102, cu111, cu113, cu115 -pip install fsspec==2024.5.0 -pip install torch==2.0.1 --extra-index-url https://download.pytorch.org/whl/${CUDA} -pip install torch-scatter torch-sparse -f https://data.pyg.org/whl/torch-2.0.1+${CUDA}.html -pip install torch-cluster -f https://data.pyg.org/whl/torch-2.0.0+${CUDA}.html +pip install --no-dependencies git+https://github.com/pyt-team/TopoNetX.git +pip install --no-dependencies git+https://github.com/pyt-team/TopoModelX.git +pip install --no-dependencies git+https://github.com/pyt-team/TopoEmbedX.git +# Note that not all combinations of torch and CUDA are available +# See https://github.com/pyg-team/pyg-lib to check the configuration that works for you +TORCH="2.3.0" # available options: 1.12.0, 1.13.0, 2.0.0, 2.1.0, 2.2.0, or 2.3.0 +CUDA="cu121" # if available, select the CUDA version suitable for your system + # available options: cpu, cu102, cu113, cu116, cu117, cu118, or cu121 +pip install torch==${TORCH} --extra-index-url https://download.pytorch.org/whl/${CUDA} +pip install lightning torch_geometric==2.4.0 +pip install pyg-lib torch-scatter torch-sparse torch-cluster -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html pytest pre-commit install diff --git a/pyproject.toml b/pyproject.toml index a6564426..37c63da0 100755 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,7 +34,6 @@ dependencies=[ "networkx", "pandas", "gudhi", - "pyg-nightly", "decorator", "hypernetx < 2.0.0", "trimesh", @@ -42,9 +41,8 @@ dependencies=[ "hydra-core==1.3.2", "hydra-colorlog==1.2.0", "hydra-optuna-sweeper==1.2.0", - "lightning==2.2.1", - "einops==0.7.0", "wandb==0.16.4", + "einops==0.7.0", "tabulate", "ipykernel", "notebook",