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computational-chemistryresearch

molecular-similarity-search

Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.

์†Œ์Šค ๋ณด๊ธฐcomputational-chemistry
SpectrAI-Initiative
maintainer
SpectrAI-Initiative
์—…๋ฐ์ดํŠธ๋จ 2026. 4. 2.
์Šคํƒ€
371
ํฌํฌ
23
quick start

Installation and usage

Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.

์„ค์น˜
$ install --globalskills.sh
์‚ฌ์šฉ๋ฒ•

์„ค์น˜ ํ›„ ํ„ฐ๋ฏธ๋„์—์„œ ๋‹ค์Œ ๋ช…๋ น์„ ์‹คํ–‰ํ•˜์—ฌ ์ด ์Šคํ‚ฌ์„ ์‚ฌ์šฉํ•  ์ˆ˜ ์žˆ์Šต๋‹ˆ๋‹ค:

skills use molecular-similarity-search