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OpenDAS
OpenFold
Commits
50a2e756
"vscode:/vscode.git/clone" did not exist on "32cd0048153955ae3bb4591b47a82a9a28e22cb0"
Commit
50a2e756
authored
Apr 25, 2025
by
jnwei
Browse files
Update OpenFold notebook to updated pytorch2 commit
parent
1ffd1974
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notebooks/OpenFold.ipynb
notebooks/OpenFold.ipynb
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notebooks/OpenFold.ipynb
View file @
50a2e756
...
...
@@ -107,11 +107,11 @@
"\n",
"python_version = f\"{version_info.major}.{version_info.minor}\"\n",
"\n",
"\n",
"os.system(\"
wget -qnc https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Linux-x86_64.sh
\")\n",
"os.
system(\"bash Mambaforge-Linux-x86_64.sh -bfp /usr/local\")
\n",
"
os.system(\"wget -qnc https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh\")
\n",
"os.system(\"
bash Miniforge3-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(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",
"\n",
"try:\n",
...
...
@@ -127,7 +127,7 @@
"\n",
" %shell mkdir -p /content/openfold/openfold/resources\n",
"\n",
" commit = \"
3bec3e9b2d1e8bdb83887899102eff7d42dc2ba9
\"\n",
" commit = \"
1ffd197489aa5f35a5fbce1f00d7dd49bce1bd2f
\"\n",
" os.system(f\"pip install -q git+https://github.com/aqlaboratory/openfold.git@{commit}\")\n",
"\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 @@
"metadata": {
"colab": {
"provenance": [],
"gpuType": "T4",
"toc_visible": true
"gpuType": "T4"
},
"kernelspec": {
"display_name": "Python 3",
...
...
@@ -907,4 +906,4 @@
},
"nbformat": 4,
"nbformat_minor": 0
}
}
\ No newline at end of file
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