New env.sh

conda.sh

@@ -0,0 +1,11 @@
+# #!/bin/bash
+
+mkdir -p ~/miniconda3
+wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh -O ~/miniconda3/miniconda.sh
+bash ~/miniconda3/miniconda.sh -b -u -p ~/miniconda3
+rm -rf ~/miniconda3/miniconda.sh
+
+~/miniconda3/bin/conda init bash
+
+#conda create -n topox python=3.11.3
+#conda activate topox

configs/train.yaml

@@ -4,7 +4,7 @@
 # order of defaults determines the order in which configs override each other
 defaults:
   - _self_
-  - dataset: minesweeper # us_country_demos
+  - dataset: ZINC # us_country_demos
   - model: cell/can #hypergraph/unignn2 #allsettransformer
   - evaluator: default
   - callbacks: default

env.sh

@@ -1,7 +1,4 @@
-# #!/bin/bash
-
-conda create -n topoxx python=3.11.3
-conda activate topoxx
+#!/bin/bash -l
 
 pip install --upgrade pip
 pip install -e '.[all]'
@@ -10,7 +7,7 @@ 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="cu117" # if available, select the CUDA version suitable for your system
+CUDA="cu121" # if available, select the CUDA version suitable for your system
              # e.g. cpu, cu102, cu111, cu113, cu115
 pip install torch_geometric==2.4.0
 pip install torch==2.0.1 --extra-index-url https://download.pytorch.org/whl/${CUDA}