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gc-fid-simulator
gc-fid-simulator PublicA Gas Chromatography Simulator built on the LSER Model
Java 2
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CAS-To-Molecular-Formula
CAS-To-Molecular-Formula PublicWeb Scraping script that scrapes NIST Chemistry Web Book and parses chemical formula based on CAS number queried. Outputs chemical formula with each atom as a field and an atom-count as a value.
Java 1
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RDKIT-Draw-Chems-From-SMILES
RDKIT-Draw-Chems-From-SMILES PublicSimple script for using RDKIT library to parse SMILES strings and output small images
Python
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