Siddhant Sharma ssiddhantsharma
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ssiddhantsharma
/ methods.sh
Created
August 5, 2020 21:12
Various methods to generate csv from files <3
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| ---------------------------------------------------TEAM-CURIE------------------------------------------------------------ | |
| !/bin/bash | |
| actual_dir=$PWD | |
| git clone https://github.com/Jairohc/team-curie.git | |
| cd team-curie | |
| cd submission_scripts | |
| #BASH | |
| bash 1_bash.sh > bash_tmp | |
| bash 1_bash_tiffany.sh > bash_2_tmp | |
| #ruby |
ssiddhantsharma
/ Molecular_Representations.ipynb
Created
October 21, 2021 19:26
Simple conversion of a SMILES String to 3 different chemical data formats. See Figure 1. https://iopscience.iop.org/article/10.1088/2632-2153/aba947/meta
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