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havent even found the haystack yet
Interested in cheminformatics, organic chemistry, medicinal chemistryand sound synthesis.
- Praha
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ECFPinvert
ECFPinvert PublicAlgorithmic inversion of extended connectivity fingerprints (ECFP)
Jupyter Notebook 14
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cross-correlation
cross-correlation PublicA simple python implementation of a discrete cross-correlation like score to assess similarity between raw XRPD patterns.
Python
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