kaggle-openmm-md-runbook
by community
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Description
Battle-tested runbook for running long (100 ns) OpenMM molecular dynamics on Kaggle's free GPU (P100 sm_60) — covers the mandatory OpenMM 8.3.1 pin, checkpoint/resume across the ~12 h session cap, Kaggle-specific pitfalls (kaggle CLI not persisted, /kaggle/input/datasets/<owner>/<slug> mount path, dataset propagation lag, --accelerator not choosing the GPU), the root-caused PBC coordinate-frame (RECELL) bug that NaN-explodes the system, ligand SDF rebuild via VF2 graph match, the B1–B5 equilibration ladder, and the agentic supervisor loop that auto-pulls mdout and relaunches. Use when planning, executing, debugging, or handing off an OpenMM MD run on Kaggle.
Install kaggle-openmm-md-runbook
Run this in your OpenClaw agent to add kaggle-openmm-md-runbook from the ClawHub registry.
openclaw skills install kaggle-openmm-md-runbookRequires ClawHub registry access. Review the security analysis below before installing.
Security Analysis
Open Source
Code is publicly available for audit.
Community Verified
Reviewed by the ClawHub community.
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Frequently asked questions
Is kaggle-openmm-md-runbook safe to install?
kaggle-openmm-md-runbook has a SkillsReview security score of 50/100. It is open source and community-verified on ClawHub. Check the full Security Analysis on this page before installing.
How much does kaggle-openmm-md-runbook cost?
kaggle-openmm-md-runbook is free to install for OpenClaw via ClawHub.
What are the best alternatives to kaggle-openmm-md-runbook?
You can compare kaggle-openmm-md-runbook side by side with similar OpenClaw skills on the SkillsReview comparison page to find the best fit for your workflow.
How do I install kaggle-openmm-md-runbook?
Install kaggle-openmm-md-runbook from ClawHub at clawhub.ai/skills/kaggle-openmm-md-runbook, or use the install action on this page to copy the command for your OpenClaw agent.
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