ai-for-science-diffsbdd

ai-for-science-diffsbdd is a skill for Claude Code, Codex from ascend-ai-coding/awesome-ascend-skills. It costs 80 tokens per session (1,454 once invoked), scanned A, original, no licence file.

A migration skill for moving an equivariant diffusion model for structure-based drug design from NVIDIA CUDA to Huawei Ascend NPUs. It covers setup, dependency installation, compiling torchscatter, code adaptation, and new-molecule inference checks.

In plain words
What is it for?
Use it to adapt DiffSBDD projects to Ascend, build required dependencies, update code, compile torchscatter, and verify de novo drug-design inference.
Why use it?
It addresses the hardware-specific changes needed to run this kind of scientific model on Ascend rather than CUDA. It also provides a check that the adapted model can perform new-molecule inference.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Not installable: its command points at a path on the author’s own machine, so it runs nowhere else. The line is /home/Ascend/ascend-toolkit/set_env.sh.

Part of the ascend-ai-for-science plugin — 14 skills shipped together , and of ai-for-science

Good fit Use it to adapt DiffSBDD projects to Ascend, build required dependencies, update code, compile torchscatter, and verify de novo drug-design inference.

Compare 6 skills from other repositories ↓
Install

Getting it into your agent

This one installs as part of its plugin. Adding the marketplace and installing the plugin brings it with everything else the plugin ships.

Claude Code
/plugin marketplace add ascend-ai-coding/awesome-ascend-skills
Claude Code
/plugin install ascend-ai-for-science

Made for: Claude Code, Codex.

Or install ascend-ai-for-science, the plugin that ships this one along with the rest of its 14 skills.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for ai-for-science-diffsbdd

README.md
[![agentmods](https://agentmods.dev/badge/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd/github.svg)](https://agentmods.dev/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd)
Your own site
<a href="https://agentmods.dev/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd"><img src="https://agentmods.dev/badge/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for ai-for-science-diffsbdd

Your own site · 80×15
<a href="https://agentmods.dev/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd"><img src="https://agentmods.dev/badge/skills/ascend-ai-coding/awesome-ascend-skills/diffsbdd.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 80 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,454 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 1 finding. A grade says what 26 rules found in the file — not that it is safe.
Origin unknown No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00080 $0.01454
Opus 5 $0.00040 $0.00727
Sonnet 5 $0.00016 $0.00291
Haiku 4.5 $0.00008 $0.00145

Measured 7d ago against content hash 37b210547b8b, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-11, from the pricing page.

Security

Grade A, and why

ai-for-science-diffsbdd scanned grade A with 1 finding against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 7d ago.

The scan reads SKILL.md. This mod also ships 1 executable file (scripts/validate_diffsbdd_env.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Makes network callslowCapability

Not a fault in itself. Listed so you know the mod talks to something, and to what.

wget -P checkpoints/ https://zenodo.org/record/8183747/files/crossdocked_fullatom_cond.ckpt
skills/ai-for-science/models/diffsbdd/SKILL.md · 161 lines

The source is not reproduced here

No licence file

A repository with no LICENSE is all rights reserved by default, so the body is not copied here. The metadata, the measurements and the link are.

Read it on GitHub

Files

What ships with it

2 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 7d ago First seen · 161 lines · 80 tokens per session scan A 37b210547b8b

Subscribe to this mod's changes

ai-for-science-diffsbdd is a skill published in the GitHub repository ascend-ai-coding/awesome-ascend-skills (168 stars, last pushed yesterday), with no licence file. It adds 80 tokens to every session and 1,454 once invoked, about $0.0004 per session on Opus 5. A static security scan graded it A with 1 finding (makes network calls). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-05.

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