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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.

SpectrAI-Initiative
maintainer
SpectrAI-Initiative
更新日 4/2/2026
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371
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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.

インストール
$ install --globalskills.sh
使い方

インストール後、ターミナルで以下のコマンドを実行してこのスキルを使用できます:

skills use drugsda-mol-similarity