chemistry-development-kit topic
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chemistry-development-kit repositories
raman-spectra-decomp-analysis
22
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16
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Python code to identify and calculate decomposition of materials using Raman spectroscopy
cdk_pywrapper
29
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2
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A Python wrapper for the Chemistry Development Kit (CDK)
cdkbook
39
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11
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Groovy Cheminformatics with the Chemistry Development Kit
pysoftk
22
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3
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Python program for modelling and simulating polymers.