DiffSBDD 昇腾 NPU 迁移 Skill，适用于将基于等变扩散模型的结构化药物设计项目从 CUDA 迁移到华为 Ascend NPU，覆盖环境搭建、依赖安装、torchscatter 源码编译、代码适配以及 de novo 推理验证。
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbdd --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .claude/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .claude/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbddType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbdd --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .agents/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .agents/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbdd --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .cursor/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .cursor/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/ascend-ai-coding/awesome-ascend-skills.git --path skills/ai-for-science/models/diffsbdd--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbdd --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .gemini/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .gemini/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbddInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .github/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .github/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install ascend-ai-coding/awesome-ascend-skills ai-for-science-diffsbdd --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/ascend-ai-coding/awesome-ascend-skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/ai-for-science/models/diffsbdd .opencode/skills/ai-for-science-diffsbdd && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "ai-for-science-diffsbdd" agent skill from https://github.com/ascend-ai-coding/awesome-ascend-skills/tree/main/skills/ai-for-science/models/diffsbdd into .opencode/skills/ai-for-science-diffsbdd/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ai-for-science-diffsbdd", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
ai-for-science-diffsbddDiffSBDD 昇腾 NPU 迁移 Skill，适用于将基于等变扩散模型的结构化药物设计项目从 CUDA 迁移到华为 Ascend NPU，覆盖环境搭建、依赖安装、torchscatter 源码编译、代码适配以及 de novo 推理验证。
AI For Science Diffsbdd is an agent skill from ascend-ai-coding/awesome-ascend-skills. DiffSBDD 昇腾 NPU 迁移 Skill，适用于将基于等变扩散模型的结构化药物设计项目从 CUDA 迁移到华为 Ascend NPU，覆盖环境搭建、依赖安装、torchscatter 源码编译、代码适配以及 de novo 推理验证。
Its SKILL.md is about 900 tokens, which your agent loads only when the skill is triggered. The skill folder holds 4 other files, including scripts and reference files (for example `references/dependency-notes.md` and `scripts/validate_diffsbdd_env.py`).
It sits in AI & LLM Engineering, covering Deep learning. It works with CUDA and NumPy. The repository describes itself as: A comprehensive knowledge base for Huawei Ascend NPU development, structured as distributed Agent Skills. https://ascend-ai-coding.github.io/awesome-ascend-skills/.
8 steps, taken from the step headings in SKILL.md.
Read from SKILL.md and the folder at commit 62a4ecb. It shows what the files ask for, not the result of running them.
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Ships 1 file in scripts/ (Python), which the agent can run.
Shell commands in SKILL.md call:
pipcondapythongitwgetFrom the folder's file list and the shell code blocks in SKILL.md.
Hosts in commands or code, which the agent is likely to contact:
github.comrepo.huaweicloud.comzenodo.orgFrom URLs in SKILL.md, links to its own repository left out.
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
AI For Science Diffsbdd loads about 898 tokens when it runs, and up to ~1.1k if it reads all its reference files. Until then it costs about 37 tokens; SKILL.md has 163 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
The automated check found no risky patterns in SKILL.md.
Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); the scripts in this folder are not scanned.
Without a licence we can't republish the file, so here is its outline and opening line. It has 163 words (~898 tokens).
“关键：numpy 必须为 1.26.4，numpy 2.x 与 CANN TBE 编译器不兼容。”
SKILL.md and 2 other files (scripts, references) in skills/ai-for-science/models/diffsbdd of ascend-ai-coding/awesome-ascend-skills.
Open the folder on GitHubat commit 62a4ecb
AI For Science Diffsbdd next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| AI For Science Diffsbdd this skillascend-ai-coding/awesome-ascend-skills | 174 | — | ~898 | Automated safety check: Pass | None | |
| Xtbloom Run Python Inferencejinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~1.3k | Automated safety check: Pass | LGPL-3.0 | |
| GPU OptimizerMathews-Tom/armory | 328 | — | ~3.5k | Automated safety check: Notes | MIT | |
| Paddle BuildPaddlePaddle/Paddle | 24k | — | ~1k | Automated safety check: Pass | Apache-2.0 | |
| Paddle Design CompilerPaddlePaddle/Paddle | 24k | — | ~3.6k | Automated safety check: Pass | Apache-2.0 | |
| Cuda Index Widthpytorch/pytorch | 104k | — | ~1.6k | Automated safety check: Pass | Custom licence |
jinzhezenggroup/computational-chemistry-agent-skills
Write, review, and run high-level xTBloom Python GFN2-xTB inference with Calculator, Structure, and BatchCalculator, including single systems, repeated geometry updates, heterogeneous ragged…
Mathews-Tom/armory
GPU optimization for consumer NVIDIA GPUs (8-24GB VRAM) covering mixed precision, gradient checkpointing, XGBoost GPU, CuPy/cuDF migration, and torch.compile.
PaddlePaddle/Paddle
A skill your agent uses when needing to compile, rebuild, or install Paddle from source after code changes.
PaddlePaddle/Paddle
A skill your agent uses when working with Paddle 3.0 compiler full pipeline: SOT (Symbolic Opcode Translator) for bytecode-level dy2st graph capture, PIR (Paddle IR) for SSA-based intermediate…
pytorch/pytorch
Choose 32-bit vs 64-bit index math in PyTorch CUDA kernels. An agent skill from pytorch/pytorch.
graphsignal/graphsignal
Profile AI inference workloads (vLLM, SGLang, TensorRT-LLM, PyTorch, any GPU application) with the Graphsignal profiler and read the results from its local /signals JSON endpoint.
ascend-ai-coding/awesome-ascend-skills
当用户需要对华为昇腾 NPU 进行硬件层面的管理、测试或诊断时使用此 skill。典型场景： - 查看 NPU 卡的状态、温度、利用率 - 测试内存带宽（h2d/d2h/d2d/p2p） - 跑算力/功耗基准测试（TFLOPS、TOPS） - 诊断 NPU 硬件故障或做健康检查 - 对 NPU 卡做压力测试（aicore、内存） - 复位/恢复卡住或异常的 NPU 卡 典型用户问题（即使不提…
ascend-ai-coding/awesome-ascend-skills
End-to-end AscendC custom operator development for Ascend NPU in an ascend-kernel (csrc/ops + build.sh + torchnpu PyTorch custom op) project.
ascend-ai-coding/awesome-ascend-skills
Complete toolkit for Huawei Ascend NPU model conversion and end-to-end inference adaptation.
ascend-ai-coding/awesome-ascend-skills
当需要编写 PyPTO 算子实现时使用此 skill。基于需求规格、设计方案和参考实现，生成完整可运行的 PyPTO 算子实现与配套测试、文档。Triggers: 实现算子、写 kernel、编写实现、写 impl、算子编码、开始编码、code the op、写 test、生成测试、写实现代码、op develop、kernel 实现。
ascend-ai-coding/awesome-ascend-skills
Analyze official Megatron-LM commits, PRs, and branch change sets to identify feature evolution, candidate breaking changes, and migration-relevant events.
ascend-ai-coding/awesome-ascend-skills
Track and normalize change requests against the official Megatron-LM repository by branch, PR, commit, commit range, or time window.
Categories
DiffSBDD 昇腾 NPU 迁移 Skill，适用于将基于等变扩散模型的结构化药物设计项目从 CUDA 迁移到华为 Ascend NPU，覆盖环境搭建、依赖安装、torchscatter 源码编译、代码适配以及 de novo 推理验证。. AI For Science Diffsbdd is an agent skill from ascend-ai-coding/awesome-ascend-skills.
AI For Science Diffsbdd fits situations like: tasks that involve Deep learning.
Run `npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a claude-code`. Or copy the skill folder (skills/ai-for-science/models/diffsbdd in ascend-ai-coding/awesome-ascend-skills) into .claude/skills/ai-for-science-diffsbdd in your project. Claude Code loads it when a task matches its description.
Run `npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a codex`. Or copy the skill folder (skills/ai-for-science/models/diffsbdd in ascend-ai-coding/awesome-ascend-skills) into .agents/skills/ai-for-science-diffsbdd in your project. Codex loads it when a task matches its description.
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add ascend-ai-coding/awesome-ascend-skills --skill ai-for-science-diffsbdd -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/ai-for-science-diffsbdd, .gemini/skills/ai-for-science-diffsbdd, .github/skills/ai-for-science-diffsbdd and .opencode/skills/ai-for-science-diffsbdd in your project.
Going by SKILL.md and its folder, AI For Science Diffsbdd needs Python for the scripts in its folder and the command-line tools its instructions call (pip, conda, python, git and wget). Our summary lists: Python 3.
SKILL.md names 3 domains. In commands or code: github.com, repo.huaweicloud.com and zenodo.org; the agent is likely to contact these when it follows the instructions. This is read from the text; nothing was executed.
Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.
No licence was found for AI For Science Diffsbdd or its repository. Without one, default copyright applies: ask the author before reusing or redistributing it.
About 898 tokens (SKILL.md is roughly 3.6k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 161 tokens, read only when the agent opens those files.
Skills that share tags, products or a category with AI For Science Diffsbdd: Xtbloom Run Python Inference (jinzhezenggroup/computational-chemistry-agent-skills, 148 stars), GPU Optimizer (Mathews-Tom/armory, 328 stars), Paddle Build (PaddlePaddle/Paddle, 24k stars) and Paddle Design Compiler (PaddlePaddle/Paddle, 24k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
ascend-ai-coding (a GitHub organization) maintains it in ascend-ai-coding/awesome-ascend-skills, which has 174 GitHub stars. The repository holds 70 skills in this directory. The repository was last updated on October 8, 2026.
Source: ascend-ai-coding/awesome-ascend-skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.
