From 444f553ca17b99c6b99dfbe5701a0d0fa51b0ef2 Mon Sep 17 00:00:00 2001
From: caic99 <amoycaic@gmail.com>
Date: Thu, 22 Feb 2024 18:17:51 +0800
Subject: [PATCH] download test dataset

---
 .github/workflows/benchmark.yml | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml
index b2cc9ae..e3148b3 100644
--- a/.github/workflows/benchmark.yml
+++ b/.github/workflows/benchmark.yml
@@ -20,7 +20,12 @@ jobs:
       - name: Setup Python
         uses: actions/setup-python@v5
       - name: Install requirements
-        run:  pip install -r requirements.txt
+        run:  pip install -r scripts/requirements.txt
+      - name: Download test data
+        run: |
+          cd data/virtual_screening/GBA
+          wget -i inactives.sdf.zip.txt -O inactives.sdf.zip
+          gunzip inactives.sdf.zip
       - name: Run benchmarks
         run: |
           python test_molecular_docking.py