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Performing computational chemistry research
πŸ”°
Performing computational chemistry research

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  1. qsarify qsarify Public

    Library of tools for the analysis of QSAR/QSPR datasets

    Jupyter Notebook 2

  2. free_descriptors free_descriptors Public

    A python script for generating descriptors from a directory of .mol files

    Python

  3. fullerene_project fullerene_project Public

    A computational study of fullerene and ligand docking

    Shell

  4. BIOL492 BIOL492 Public

    Directed research writeup related to paper published

    TeX

  5. CS161 CS161 Public

    Project repository for code generated by Computer Science II course

    C++

  6. heatmap_generation.R heatmap_generation.R
    1
    # red to blue color palette 
    2
    
                  
    3
    cols <- c(colorRampPalette(c(β€œ#e7f0fa”, β€œ#c9e2f6”, β€œ#95cbee”, β€œ#0099dc”, β€œ#4ab04a”, β€œ#ffd73e”))(10),
    4
    colorRampPalette(c(β€œ#eec73a”, β€œ#e29421”, β€œ#e29421”, β€œ#f05336β€³,”#ce472e”), bias=2)(90))
    5