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Update 7-inverse-design.ipynb
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stewu5 committed Feb 18, 2022
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"* https://github.com/yoshida-lab/XenonPy/releases/download/v0.4.1/ngram_pubchem_ikebata_reO15_O10.tar.gz\n",
"* https://github.com/yoshida-lab/XenonPy/releases/download/v0.4.1/ngram_pubchem_ikebata_reO15_O11to20.tar.gz\n",
"\n",
"Please unzip the files yourself.\n",
"Please unzip the files yourself. (Currently, you need to manually add the "_sample_order" attribute as well, e.g., setting it to be (0,10).)\n",
"\n",
"Using the merge table function in `NGram`, we can train and store the big `NGram` tables separately, and combine them later, as will be demonstrated below. Note that the most efficient way to manually parallelize the training of `NGram` is NOT to split the order, but to split the training set of SMILES strings, which is not what we are doing here."
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