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molecular-descriptors-calculation

Calculate advanced molecular descriptors including shape indices, connectivity indices, and structural features for QSAR and drug discovery.

์†Œ์Šค ๋ณด๊ธฐcomputational-chemistry
InternScience
maintainer
InternScience
์—…๋ฐ์ดํŠธ๋จ 2026. 3. 13.
์Šคํƒ€
157
ํฌํฌ
8
quick start

Installation and usage

Calculate advanced molecular descriptors including shape indices, connectivity indices, and structural features for QSAR and drug discovery.

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

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

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