1 files changed, 54 insertions, 0 deletions
diff --git a/scripts/run_ogb_mol_task_full.sh b/scripts/run_ogb_mol_task_full.sh
new file mode 100755
index 0000000..b25bff3
--- /dev/null
+++ b/scripts/run_ogb_mol_task_full.sh
@@ -0,0 +1,54 @@
+#!/usr/bin/env bash
+set -euo pipefail
+
+ROOT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")/.." && pwd)"
+cd "${ROOT_DIR}"
+export PYTHONPATH="${ROOT_DIR}:${PYTHONPATH:-}"
+
+TASK="${TASK:-ogbg-molhiv}"
+DEVICE="${DEVICE:-cuda:1}"
+EPOCHS="${EPOCHS:-100}"
+SEED="${SEED:-0}"
+HIDDEN="${HIDDEN:-128}"
+VIEWS="${VIEWS:-gin gine gcn graphsage gatv2 graphconv transformer pna gen film resgated tag sgc cheb arma mf appnp}"
+
+mkdir -p runs logs
+
+result_path() {
+  local view="$1"
+  local compute="$2"
+  local t="$3"
+  local ns="$4"
+  echo "runs/${TASK}_${view}_${compute}_T${t}_ns${ns}_h${HIDDEN}_e${EPOCHS}_s${SEED}.json"
+}
+
+run_cell() {
+  local view="$1"
+  local compute="$2"
+  local t="$3"
+  local ns="$4"
+  local out
+  out="$(result_path "${view}" "${compute}" "${t}" "${ns}")"
+  if [[ -f "${out}" ]]; then
+    echo "[skip] ${out}"
+    return
+  fi
+  echo "[run] ${TASK} view=${view} compute=${compute} T=${t} ns=${ns} device=${DEVICE}"
+  python3 -m rrog.cli run \
+    --task "${TASK}" \
+    --view "${view}" \
+    --compute "${compute}" \
+    --epochs "${EPOCHS}" \
+    --hidden "${HIDDEN}" \
+    --T "${t}" \
+    --n_sup "${ns}" \
+    --seed "${SEED}" \
+    --device "${DEVICE}"
+}
+
+for view in ${VIEWS}; do
+  run_cell "${view}" classic 0 1
+  run_cell "${view}" fixed-rrog 3 3
+done
+
+python3 -m rrog.cli results --epochs "${EPOCHS}"