pad fixing for unimol and docking pose (#211) #117
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| name: Build and Publish Docker | |
| on: | |
| push: | |
| branches: | |
| - main | |
| jobs: | |
| docker: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - | |
| name: Checkout | |
| uses: actions/checkout@v3 | |
| - | |
| name: Set up QEMU | |
| uses: docker/setup-qemu-action@v2 | |
| - | |
| name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v2 | |
| - | |
| name: Login to DockerHub | |
| uses: docker/login-action@v2 | |
| with: | |
| username: ${{ secrets.DOCKERHUB_USERNAME }} | |
| password: ${{ secrets.DOCKERHUB_TOKEN }} | |
| - | |
| name: Build and push | |
| uses: docker/build-push-action@v3 | |
| with: | |
| context: ./unimol/docker/ | |
| push: true | |
| tags: dptechnology/unimol:latest-pytorch1.11.0-cuda11.3 |