Molecular Dynamics, Cheminformatics, Biophysics, DevOps, Github Actions.
own github actions code: For the full action code: name: Run GROMACS Simulations on: workflow_dispatch jobs: simulate: runs-on: ubuntu-latest timeout-minutes: 240 steps: - name: Checkout source uses: actions/checkout@v2 - name: Setup Python uses: actions/setup-python@v2 with: python-version: 3.7 -