diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml new file mode 100644 index 0000000..b2cc9ae --- /dev/null +++ b/.github/workflows/benchmark.yml @@ -0,0 +1,27 @@ +name: Uni-Dock Benchmark +on: + workflow_dispatch: + inputs: + tag: + description: "Docker image used" + required: false + default: "latest" +jobs: + unidock_benchmark: + runs-on: nvidia + container: + image: dptechnology/unidock:${{ github.event.inputs.tag }} + options: --gpus all + steps: + - name: Checkout test suites + uses: actions/checkout@v4 + with: + repository: dptech-corp/Uni-Dock-Benchmarks + - name: Setup Python + uses: actions/setup-python@v5 + - name: Install requirements + run: pip install -r requirements.txt + - name: Run benchmarks + run: | + python test_molecular_docking.py + python test_virtual_screening.py