diff --git a/tutorials/openmm-torch-nnpops.ipynb b/tutorials/openmm-torch-nnpops.ipynb index d479b744..9b1d0915 100644 --- a/tutorials/openmm-torch-nnpops.ipynb +++ b/tutorials/openmm-torch-nnpops.ipynb @@ -58,7 +58,7 @@ "source": [ "!pip install -q condacolab\n", "import condacolab\n", - "condacolab.install()" + "condacolab.install_miniconda()" ] }, { @@ -82,12 +82,11 @@ }, "outputs": [], "source": [ - "# Note: Remove \"mmh\" when NNPOps in available on conda-forge (https://github.com/openmm/NNPOps/issues/26)\n", - "# Note: \"cudatoollit=11.2\" is need to override a pinning in conda-colab\n", - "!conda install -q -c conda-forge -c mmh \\\n", + "# NOTE: PyTorch pinned because https://github.com/conda-forge/openmm-torch-feedstock/issues/20\n", + "!conda install -q -c conda-forge \\\n", " openmm-torch nnpops torchani openmmtools \\\n", - " cudatoolkit=11.2 \\\n", - " &> /dev/null # Comment this line to see the installaion logs" + " pytorch=1.11 \\\n", + " &> /dev/null # Comment this line to see a log\"" ] }, {