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computational-chemistryresearch
drugsda-mol-similarity
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
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SpectrAI-Initiative
Updated 4/2/2026
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quick start
Installation and usage
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use drugsda-mol-similarity