Commit 50a2e756 authored by jnwei's avatar jnwei
Browse files

Update OpenFold notebook to updated pytorch2 commit

parent 1ffd1974
...@@ -107,11 +107,11 @@ ...@@ -107,11 +107,11 @@
"\n", "\n",
"python_version = f\"{version_info.major}.{version_info.minor}\"\n", "python_version = f\"{version_info.major}.{version_info.minor}\"\n",
"\n", "\n",
"\n", "os.system(\"wget -qnc https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh\")\n",
"os.system(\"wget -qnc https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Linux-x86_64.sh\")\n", "os.system(\"bash Miniforge3-Linux-x86_64.sh -bfp /usr/local\")\n",
"os.system(\"bash Mambaforge-Linux-x86_64.sh -bfp /usr/local\")\n", "os.environ[\"PATH\"] = \"/usr/local/bin:\" + os.environ[\"PATH\"]\n",
"os.system(\"mamba config --set auto_update_conda false\")\n", "os.system(\"mamba config --set auto_update_conda false\")\n",
"os.system(f\"mamba install -y -c conda-forge -c bioconda kalign2=2.04 hhsuite=3.3.0 openmm=7.7.0 python={python_version} pdbfixer biopython=1.83\")\n", "os.system(f\"mamba install -y -c conda-forge -c bioconda kalign2=2.04 hhsuite=3.3.0 openmm=8.2.0 python={python_version} pdbfixer biopython=1.83\")\n",
"os.system(\"pip install -q torch ml_collections py3Dmol modelcif\")\n", "os.system(\"pip install -q torch ml_collections py3Dmol modelcif\")\n",
"\n", "\n",
"try:\n", "try:\n",
...@@ -127,7 +127,7 @@ ...@@ -127,7 +127,7 @@
"\n", "\n",
" %shell mkdir -p /content/openfold/openfold/resources\n", " %shell mkdir -p /content/openfold/openfold/resources\n",
"\n", "\n",
" commit = \"3bec3e9b2d1e8bdb83887899102eff7d42dc2ba9\"\n", " commit = \"1ffd197489aa5f35a5fbce1f00d7dd49bce1bd2f\"\n",
" os.system(f\"pip install -q git+https://github.com/aqlaboratory/openfold.git@{commit}\")\n", " os.system(f\"pip install -q git+https://github.com/aqlaboratory/openfold.git@{commit}\")\n",
"\n", "\n",
" os.system(f\"cp -f -p /content/stereo_chemical_props.txt /usr/local/lib/python{python_version}/site-packages/openfold/resources/\")\n", " os.system(f\"cp -f -p /content/stereo_chemical_props.txt /usr/local/lib/python{python_version}/site-packages/openfold/resources/\")\n",
...@@ -893,8 +893,7 @@ ...@@ -893,8 +893,7 @@
"metadata": { "metadata": {
"colab": { "colab": {
"provenance": [], "provenance": [],
"gpuType": "T4", "gpuType": "T4"
"toc_visible": true
}, },
"kernelspec": { "kernelspec": {
"display_name": "Python 3", "display_name": "Python 3",
...@@ -907,4 +906,4 @@ ...@@ -907,4 +906,4 @@
}, },
"nbformat": 4, "nbformat": 4,
"nbformat_minor": 0 "nbformat_minor": 0
} }
\ No newline at end of file
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment