Rowan Agent Skill

Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.

19k tokens

context cost

the whole folder, loaded on every use

files

instructions only

copies elsewhere

how many repositories repackaged it

stars on the repo

on the repository, not the skill itself

Install

one command, takes just this skill from the repository

npx skills add https://github.com/christophacham/agent-skills-library --skill rowan

Other skills for the same job

different authors, same section of the catalogue

At Dispatch V2

by pytorch

vendor ×3

Convert PyTorch AT_DISPATCH macros to AT_DISPATCH_V2 format in ATen C++ code. Use when porting AT_DISPATCH_ALL_TYPES_AND*, AT_DISPATCH_FLOATING_TYPES*, or other dispatch macros to the new v2 API. For ATen kernel files, CUDA kernels, and native operator implementations.

Write docstrings for PyTorch functions and methods following PyTorch conventions. Use when writing or updating docstrings in PyTorch code.

Answer questions about the AI SDK and help build AI-powered features. Use when developers: (1) Ask about AI SDK functions like generateText, streamText, ToolLoopAgent, embed, or tools, (2) Want to build AI agents, chatbots, RAG systems, or text generation features, (3) Have questions about AI providers (OpenAI, Anthropic, Google, etc.), streaming, tool calling, structured output, or embeddings, (4) Use React hooks like useChat or useCompletion. Triggers on: "AI SDK", "Vercel AI SDK", "generateText", "streamText", "add AI to my app", "build an agent", "tool calling", "structured output", "useChat".

Create an llms.txt file from scratch based on repository structure following the llms.txt specification at https://llmstxt.org/

Use when working directly with the `esm` Python SDK, ESM3 or ESMC model IDs, Forge/Biohub inference clients, or ESMFold2 folding workflows.

Modal is a serverless cloud platform for running Python on demand, including on-demand GPUs. Use when deploying or serving AI/ML models, running GPU-accelerated workloads (training, fine-tuning, inference), serving web endpoints, scheduling batch jobs, or scaling Python code to cloud containers with the Modal SDK.

Use Therapeutics Data Commons through the PyTDC Python package for registry discovery, approved dataset access, task-aware splits, evaluator metrics, benchmark groups, and bounded molecular-oracle workflows.

Machine learning in Python with scikit-learn. Use when working with supervised learning (classification, regression), unsupervised learning (clustering, dimensionality reduction), model evaluation, hyperparameter tuning, preprocessing, or building ML pipelines. Provides comprehensive reference documentation for algorithms, preprocessing techniques, pipelines, and best practices.

30k tokens scripts

How to use it

Copy the folder

Take christophacham/rowan from the repository into ~/.claude/skills for personal use, or into .claude/skills inside a project.

Check the name does not clash

The agent identifies a skill by the name field in its header. Two skills with the same name cannot sit side by side — one of them will be ignored.

Install what it needs

The instructions reference pip, uv. Without those the skill loads but fails at the first command.