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cc-ats · Nov 9, 2023 · 0ea7c9b · 0ea7c9b
1 parent 65a2202
commit 0ea7c9b
Showing 1 changed file with 16 additions and 16 deletions.
diff --git a/Lesson3_BP.ipynb b/Lesson3_BP.ipynb
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       "source": [
         "## Using ANI for Feature Extraction\n",
         "\n",
-        "Here is an example where we use the ANI model for feature extraction. We will use values for the symmetry function parameters from the ASE_ANI model references (https://github.com/isayev/ASE_ANI), which serves as an interface for the TorchANI (https://doi.org/10.1021/acs.jcim.0c00451) software package.\n",
+        "Here is an example where we use the ANI model for feature extraction. We will use values for the symmetry function parameters from the ASE_ANI model references (https://github.com/isayev/ASE_ANI), which serves as an interface for the TorchANI (https://doi.org/10.1021/acs.jcim.0c00451) software package. The BP parameters in this tutorial are not optimized for this system. The parameters can be optimized following the procedures outlined in https://doi.org/10.1002/qua.24890.\n",
         "\n"
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