# mcox3406

> Open-source publisher. Listings imported from github.com/mcox3406 — credited to the original author with their license.

- **Listings:** 9
- **Total installs:** 0
- **Profile:** https://agentstack.voostack.com/s/mcox3406
- **Website:** https://github.com/mcox3406

## Published listings

- [Massspecgym](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-massspecgym) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-massspecgym`
  MassSpecGym benchmark reference — dataset schema, Python API, transforms, evaluation metrics, retrieval pipeline, and common patterns. Use when working with MassSpecGym data, models, or evaluation.
- [Mol Ml](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-mol-ml) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-mol-ml`
  Machine learning workflows for molecular data. Use when building ML models with molecules, splitting datasets, selecting fingerprints for ML, avoiding data leakage, or doing scaffold-based train/test splits. Covers common pitfalls in molecular ML.
- [Verify Bibliography](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-verify-bibliography) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-verify-bibliography`
  Verifies that bibliography references exist and have accurate metadata. Use when the user asks to "check references", "verify a bibliography", "validate citations", "check for hallucinated citations", "check a .bib file", or mentions auditing a BibTeX file for accuracy. Looks up each entry against Crossref and arXiv, then spawns web-search subagents for non-indexed sources, flagging missing DOIs,…
- [Molgpu](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-molgpu) — Skill · Free — `agentstack add skill-mcox3406-claude-comp-chem-skills-molgpu`
  Reference guide for the MolGPU shared GPU cluster. Machine specs, SSH setup, shared filesystem, conda/mamba, multi-GPU training tips, and common commands.
- [Engaging](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-engaging) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-engaging`
  MIT Engaging cluster reference. SLURM job scheduling, Coley group nodes, filesystem layout, Python environments, and common commands. Use when working with the Engaging HPC cluster.
- [Rdkit](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-rdkit) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-rdkit`
  Modern RDKit workflows for cheminformatics, including molecular fingerprints, drawing, and property calculations. Use when working with molecules, SMILES, molecular fingerprints (Morgan, ECFP, RDKit, atom pairs, topological torsions), molecule visualization/drawing, substructure search, or chemical property calculations. This skill provides up-to-date syntax patterns as RDKit's API evolves.
- [Pkg Mgmt](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-pkg-mgmt) — Skill · Free — `agentstack add skill-mcox3406-claude-comp-chem-skills-pkg-mgmt`
  Python package and environment management using uv and mamba. Use when installing packages, creating virtual environments, setting up new projects, or managing dependencies. NOT for general Python coding questions.
- [Torch Geometric](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-torch-geometric) — Skill · Free — `agentstack add skill-mcox3406-claude-comp-chem-skills-torch-geometric`
  Graph Neural Networks (PyG). Node/graph classification, link prediction, GCN, GAT, GraphSAGE, heterogeneous graphs, molecular property prediction, for geometric deep learning.
- [Vasp Engaging](https://agentstack.voostack.com/l/skill-mcox3406-claude-comp-chem-skills-vasp-engaging) — Skill · Free · security-reviewed — `agentstack add skill-mcox3406-claude-comp-chem-skills-vasp-engaging`
  VASP on MIT Engaging. VASP 6.4.2 (GCC/OpenMPI, Rocky 8 compatible), module loading, SLURM submission, POTCAR paths. Use when setting up or running VASP calculations on Engaging.

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