claude-science-hpc-integrations

Connect Claude Science to a private-subnet AWS HPC cluster (AWS ParallelCluster, AWS PCS, or any Slurm head/login node) reachable ONLY through AWS Systems Manager (SSM), by reducing the SSM channel to an ordinary SSH connection the native compute provider can open. Works for AWS ParallelCluster and AWS PCS (same design; verified on ParallelCluster) as long as SSM access is enabled to the login/head node. Use whenever the user wants to reach an HPC head/login node "over SSM", "through Session Manager", "in a private subnet", or via an ssh_config ProxyCommand; mentions AWS ParallelCluster, AWS PCS, or a Slurm cluster behind SSM; or when an SSH compute provider that proxies over SSM fails to connect (e.g. "Connection closed by UNKNOWN port 65535"). Covers the SSM->SSH transport, the AWS credential / PATH pitfalls that break the ProxyCommand on a desktop app, registering the SSH-over-SSM provider, a least-privilege IAM user that makes the unavoidable static key safe to store, and the plain submit -> wait -> harve

Connect Claude Science to a remote Schrödinger Suite jobserver running on an AWS ParallelCluster (or any Slurm HPC) that is reachable only through AWS SSM, and submit/monitor/harvest Schrödinger jobs from it. Use this skill whenever the user mentions Schrödinger, jobserver, jsc, testapp, Maestro, Glide, Desmond, FEP+, or MMLIBS licensing on a remote cluster; whenever they want to reach an HPC head node "over SSM", "through Session Manager", "in a private subnet", or via an ssh_config ProxyCommand; or whenever an SSH compute provider that proxies over SSM fails to connect. It covers reducing SSM to an SSH transport, registering the SSH-over-SSM compute provider, the AWS credential / PATH pitfalls that break the ProxyCommand, the jobserver PKI-certificate lifecycle, and how "-HOST" routes a job through the jobserver to Slurm (not straight to Slurm). Reach for it even if the user only says "my Schrödinger cluster" or "the jobserver box" without naming SSM explicitly.