compute-infra

I need local, cluster, or cloud GPU resources as a reusable research workbench

Choose execution environments across local machines, SSH/Slurm, Modal, cloud GPUs, and model endpoints while tracking dependencies, resources, cost, and cleanup.

Who it helps

Researchers running large models or data jobsLab engineering leadsResearchers reproducing compute environments

Bring these materials

Code repo or notebookDependency files and model weightsGPU, CPU, and memory needsBudget and data-safety boundaries

Skills used

sa.nextflowsa.optimize-for-gpucs.compute-env-setupcs.remote-compute-sshcs.managed-model-endpoints

Before you start

Install the Skills for this workflow

Choose your system and agent, then run the command in your terminal. After installation, send the prompts below to your agent.

System
Agent
curl -sSL https://paperskills.com/scripts/paperskills-install.sh | bash -s -- \
  --tool codex \
  --skills sa.nextflow,sa.optimize-for-gpu,cs.compute-env-setup,cs.remote-compute-ssh,cs.managed-model-endpoints \
  --registry https://paperskills.com/api/registry

Recommended workflow

Step 1 · sa.optimize-for-gpu

Assess resources and execution strategy

View skill

Task for your agent

Use optimize-for-gpu to identify where the current Python/NumPy/pandas/ML pipeline benefits from GPU or parallelism, with CPU/GPU/cluster tradeoffs.

Expected outputs

Resource strategyAcceleration candidatesRisks and costs

Step 2 · sa.nextflow

Package a resumable pipeline

View skill

Task for your agent

Use nextflow to design samplesheets, nextflow.config, container/conda environments, and -resume strategy for a multi-step analysis or nf-core workflow.

Expected outputs

Nextflow configSamplesheetResume strategy

Step 3 · cs.compute-env-setup

Register remote environments or model endpoints

View skill

Task for your agent

Use compute-env-setup to plan SSH/Slurm/Modal/model-endpoint registration, start/stop scripts, weight caches, logs, and cleanup workflow.

Expected outputs

Environment inventoryStart/stop script planCleanup workflow

nextflow

Build, run, and debug Nextflow data pipelines and nf-core workflows end to end. Use whenever the user mentions Nextflow, nf-core, .nf files, nextflow.config, DSL2, processes/channels/operators, samplesheets, or wants to run a community pipeline (e.g. nf-core/rnaseq, nf-core/sarek), write or test a module/subworkflow with nf-test, configure executors/containers (Docker, Singularity/Apptainer, Conda, Wave), scale a workflow to HPC/SLURM or cloud (AWS Batch, Google Batch, Azure, Kubernetes), or debug a failed/-resume run. Make sure to use this skill for any reproducible scientific/bioinformatics workflow work even if the user does not say the word "Nextflow", and for authoring nf-core-compliant pipelines, modules, configs, and linting.

View skill

optimize-for-gpu

GPU-accelerate Python code using CuPy, Numba CUDA, Warp, cuDF, cuML, cuGraph, KvikIO, cuCIM, cuxfilter, cuVS, cuSpatial, and RAFT. Use whenever the user mentions GPU/CUDA/NVIDIA acceleration, or wants to speed up NumPy, pandas, scikit-learn, scikit-image, NetworkX, GeoPandas, or Faiss workloads. Covers physics simulation, differentiable rendering, mesh ray casting, particle systems (DEM/SPH/fluids), vector/similarity search, GPUDirect Storage file IO, interactive dashboards, geospatial analysis, medical imaging, and sparse eigensolvers. Also use when you see CPU-bound Python code (loops, large arrays, ML pipelines, graph analytics, image processing) that would benefit from GPU acceleration, even if not explicitly requested.

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compute-env-setup

Set up a compute environment on a remote provider so Claude Science jobs can run there. Covers direct SSH/conda hosts, Slurm clusters, container-via-bridge runners, and managed-API providers (Modal, GCP, RunPod). Use when standing up a new provider, porting an env to a different backend, adding a tool that needs its own software stack, or wiring weight caches. Triggers on "new compute provider", "set up env on", "port env to", "build GPU image", "weight cache", "compute_details", "conda env on the box", "apptainer on slurm".

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remote-compute-ssh

Submit→wait_for_notification→harvest workflow for the user's SSH/SLURM hosts. Load once you've decided to dispatch remote.

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managed-model-endpoints

Register a model service in the managed family — a local model server container the daemon starts/stops on demand, or a remote upstream model API (https). Read the runbook, allocate a port (local only), compose idempotent start/stop scripts (local only), register once. Load when the user wants a model service available for inference, or when list_compute shows managed endpoints.

View skill
AI and model experimentsData analysis pipeline