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torchdrug

K-Dense-AI
更新日 Today
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について

グラフベースの創薬ツールキット。分子特性予測(ADMET)、タンパク質モデリング、知識グラフ推論、分子生成、逆合成、GNN(GIN、GAT、SchNet)、40以上のデータセットを備え、分子・タンパク質・生医薬グラフ向けのPyTorchベース機械学習に対応。

クイックインストール

Claude Code

推奨
プラグインコマンド推奨
/plugin add https://github.com/K-Dense-AI/claude-scientific-skills
Git クローン代替
git clone https://github.com/K-Dense-AI/claude-scientific-skills.git ~/.claude/skills/torchdrug

このコマンドをClaude Codeにコピー&ペーストしてスキルをインストールします

GitHub リポジトリ

K-Dense-AI/claude-scientific-skills
パス: scientific-packages/torchdrug
ai-scientistbioinformaticschemoinformaticsclaudeclaude-skillsclaudecode

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