π°
Performing computational chemistry research
PhD. Student at North Dakota State University. Bioinformatics and Comp Bio BSc.
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North Dakota State University
- Fargo, ND
- https://szwiec.xyz
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free_descriptors
free_descriptors PublicA python script for generating descriptors from a directory of .mol files
Python
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fullerene_project
fullerene_project PublicA computational study of fullerene and ligand docking
Shell
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heatmap_generation.R
heatmap_generation.R 1# red to blue color palette
23cols <- c(colorRampPalette(c(β#e7f0faβ, β#c9e2f6β, β#95cbeeβ, β#0099dcβ, β#4ab04aβ, β#ffd73eβ))(10),
4colorRampPalette(c(β#eec73aβ, β#e29421β, β#e29421β, β#f05336β³,β#ce472eβ), bias=2)(90))
5
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