Menu
预测化合物的admet性质
Install with Codex or Claude Copy this prompt, paste it into Codex, Claude, or another assistant, and let it review the skill page and install it for you.
Use this skill when user wants to view one or multiple PDB / SDF files in the 3D structure viewer. Trigger when user mentions: open pdb, open sdf, 3D structure, view protein, view molecule, or provides local .pdb/.sdf file(s) to view. Supports viewing multiple files simultaneously by chaining path parameters with '&'.
When the service is deployed on a cloud server, use this skill when the user provide a file path and ask to download to their personal computer. This skill upload a file to Alibaba Cloud OSS and generate a shareable preview link for users to download easily. Trigger especially when user mentions: download file, upload to OSS, cloud storage upload, view image, preview image, generate share link, preview file via URL, or provides a local file path that needs to be shared online.
输入PDB ID，获取相应的PDB文件
Build the final collection report in two steps: model writes a report template, then script injects each paper's Brief Conclusion and abs URL from summary.md by arXiv-id placeholders.
Tool-only paper processing skill with a manual language parameter: supports batch artifact download for many papers or single-paper download, then the model manually reads source/PDF and writes summary.md in the selected language. Use when per-paper comprehension should be model-driven instead of script-generated.
Model-driven arXiv retrieval workflow for building a paper set with a manual language parameter: initialize a run, fetch metadata for each model-designed query, let the model filter irrelevant items per query by keep indexes, then merge and dedupe into per-paper metadata directories. Use when query planning and relevance filtering should be done by the model, not rule-based heuristics.
Based on SOC occupation classification
| name | admet-predict |
| description | 预测化合物的admet性质 |
| license | Proprietary. LICENSE.txt has complete terms |
When given a compound, predict its ADMET properties (absorption, distribution, metabolism, excretion, and toxicity).
| 参数名 | 类型 | 必填 | 描述 |
|---|---|---|---|
smiles_file | string | 是 | 包含smiles的文件 文件格式可能是.csv或者.txt |
output_dir | string | 是 | 文件输出的目录 |
source "$(conda info --base)/etc/profile.d/conda.sh" && conda activate huntianling && CUDA_VISIBLE_DEVICES=-1 python admet-predict.py --smiles_file {{smiles_file}} --output_dir {{output_dir}}