Update test.yml

gitter-lab · Jan 5, 2024 · 10837bb · 10837bb
1 parent d0eafd7
commit 10837bb
Showing 1 changed file with 22 additions and 9 deletions.
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -1,15 +1,15 @@
-name: Test
+name: Test active learning in drug discovery
+
 on:
 - push
 - pull_request
 jobs:
   Test:
-    name: Test nn4dms
+    name: Test active learning in drug discovery
     runs-on: ${{ matrix.os }}
-    continue-on-error: true
     strategy:
       matrix:
-        os: [ubuntu-latest]
+        os: [ubuntu-latest, windows-latest, macos-latest]
     steps:
       - name: Checkout repository
         uses: actions/checkout@v2
@@ -20,19 +20,32 @@ jobs:
           environment-file: conda_cpu_env.yml
           auto-activate-base: false
           miniconda-version: 'latest'
-     # Log conda environment contents
+      # Log conda environment contents
       - name: Log conda environment
         shell: bash --login {0}
         run: conda list
-     # Activate the installed packages
+      # Activate the installed packages
       - name: Install active_learning_dd package
         shell: bash --login {0}
         run: pip install -e .
-      # Tests that the regression training code runs in the conda environment
+      # Sample Runner
+      - name: Test sample data runner
+        shell: bash --login {0}
+        run: |
+          cd chtc_runners
+          python sample_data_runner.py \
+            --pipeline_params_json_file=../param_configs/sample_data_config.json \
+            --hyperparams_json_file=../param_configs/experiment_PstP_hyperparams/sampled_hyparams/ClusterBasedWCSelector_609.json \
+            --iter_max=5 \
+            --no-precompute_dissimilarity_matrix \
+            --initial_dataset_file=../datasets/sample_data/training_data/iter_0.csv.gz
+
+    # Tests the BT clustering
       - name: Test BT_Clustering
         shell: bash --login {0}
-        run: python active_learning_dd/utils/generate_bt_clustering.py --csv_file_or_dir=datasets/sample_data/training_data/iter_{}.csv --output_dir=datasets/sample_data/training_data --feature_name="Morgan FP_2_1024" --cutoff=0.4 --dist_function=tanimoto_dissimilarity --process_count=2 --index_name="Index ID"
-      # Tests that inference notebook can execute in the conda environment
+        run: python active_learning_dd/utils/generate_bt_clustering.py --csv_file_or_dir=datasets/sample_data/training_data/iter_0.csv --output_dir=datasets/sample_data/training_data --feature_name="Morgan FP_2_1024" --cutoff=0.4 --dist_function=tanimoto_dissimilarity --process_count=2 --index_name="Index ID"
+    # Tests that base Simulation Runner
       - name: Test Simulation Runner
         shell: bash --login {0}
         run: python chtc_runners/simulation_runner.py --pipeline_params_json_file=param_configs/sample_data_config.json --nbs_params_json_file=param_configs/ClusterBasedWCSelector_params_reduced.json --exploration_strategy=weighted --iter_max=5 --process_num=0 --batch_size_index=0 --rnd_seed=0 --no-random_param_sampling --precompute_dissimilarity_matrix
+