Update README.md
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README.md
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@@ -29,14 +29,14 @@ Steps to prepare the database:
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```bash
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# Download all ZINC20 tranches from 'in-stock, lead-like' subset
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-
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# Remove first line of every file and save into txt file
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# Concatenate all created files into one (contains 4015274 ligands)
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```
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3) Parse the concatenated text file into a Huggingface dataset
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```bash
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# Download all ZINC20 tranches from 'in-stock, lead-like' subset
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mkdir zinc
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wget -i ZINC-downloader-2D-smi.uri -P zinc
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# Remove first line of every file and save into txt file
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for i in zinc/*; do tail -n +2 "$i" > "$i".txt; done
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# Concatenate all created files into one (contains 4015274 ligands)
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cat zinc/*.txt > zinc_all.txt
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```
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3) Parse the concatenated text file into a Huggingface dataset
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