Команды для терминала DSH
dsh plugin --profile web add github:Yijian-quiet/dsh-mol#path:/dsh-uiЗапустите команду в терминале, где работает DeepSeek Harness. Перезапуск применит плагин автоматически.
Плагин «dsh-mol#dsh-ui» для DeepSeek Harness: A chemistry workbench panel in the DSH web UI. Draw structures on a Ketcher canvas (a script downloads the build; it renders locally in the browser with no backend), then compute on the current molecule with RDKit without calling a model — formula, molecular weight, exact mass, logP, TPSA, hydrogen-bond donors and acceptors, ring counts, Fsp3, stereocentres, Lipinski and Veber rule-by-rule checks, QED, PAINS/BRENK structural alerts and the Murcko scaffold, plus SMARTS substructure matching, fingerprint similarity, format conversion, standardisation and batch clean-up. A retrosynthesis tab talks to a pluggable backend (Retro* by default) over a single JSON-in/JSON-out process, and states what is missing when the backend is not installed instead of inventing a route. The calculations run in this repository's Python package (rdkit), which is installed with pip separately.
★ 2 звёзд GitHub25 сентября 2026 г. добавлен
Что делает dsh-mol#dsh-ui
Плагин «dsh-mol#dsh-ui» для DeepSeek Harness: A chemistry workbench panel in the DSH web UI. Draw structures on a Ketcher canvas (a script downloads the build; it renders locally in the browser with no backend), then compute on the current molecule with RDKit without calling a model — formula, molecular weight, exact mass, logP, TPSA, hydrogen-bond donors and acceptors, ring counts, Fsp3, stereocentres, Lipinski and Veber rule-by-rule checks, QED, PAINS/BRENK structural alerts and the Murcko scaffold, plus SMARTS substructure matching, fingerprint similarity, format conversion, standardisation and batch clean-up. A retrosynthesis tab talks to a pluggable backend (Retro* by default) over a single JSON-in/JSON-out process, and states what is missing when the backend is not installed instead of inventing a route. The calculations run in this repository's Python package (rdkit), which is installed with pip separately.
Показать оригинальное описание (EN/ZH)
A chemistry workbench panel in the DSH web UI. Draw structures on a Ketcher canvas (a script downloads the build; it renders locally in the browser with no backend), then compute on the current molecule with RDKit without calling a model — formula, molecular weight, exact mass, logP, TPSA, hydrogen-bond donors and acceptors, ring counts, Fsp3, stereocentres, Lipinski and Veber rule-by-rule checks, QED, PAINS/BRENK structural alerts and the Murcko scaffold, plus SMARTS substructure matching, fingerprint similarity, format conversion, standardisation and batch clean-up. A retrosynthesis tab talks to a pluggable backend (Retro* by default) over a single JSON-in/JSON-out process, and states what is missing when the backend is not installed instead of inventing a route. The calculations run in this repository's Python package (rdkit), which is installed with pip separately.
Как удалить при необходимости
dsh plugin --profile web remove dsh-mol#dsh-uiБезопасность и аудит
Плагины выполняются в окружении пользователя DSH. Рекомендуется проверять исходный код, зависимости и запрашиваемые разрешения в репозитории автора перед установкой.