NeqSim Community Skills

NeqSim Community Skills is a public, open-source starting point for community-contributed skills that support NeqSim users, AI agents, students, researchers, and engineers.

A skill is a small, self-contained knowledge package. It can contain:

• SKILL.md agent guidance with YAML frontmatter
• optional Python implementation code
• examples using public inputs
• pytest tests
• documentation and references
• a validation checklist

This repository is for public knowledge only. Do not add proprietary methods, confidential data, internal tag names, private URLs, company-specific standards, unpublished correlations, or production design rules.

Relationship to NeqSim

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. It provides the thermodynamic and process simulation engine. This repository provides community skills that can guide agents and users when applying open workflows around NeqSim.

The main NeqSim repository documents the skill workflow in the Skills Guide and lists public community entries in community-skills.yaml.

Community skills can be discovered and installed with the NeqSim CLI:

neqsim skill list                    # browse the catalog
neqsim skill install <skill-name>    # install a skill
neqsim skill publish user/repo-name  # publish yours by creating a draft PR

For this multi-skill repository, each skill is cataloged by a path such as skills/process/separator-modelling/SKILL.md.

Initial Skills

Skill	Catalog name	Purpose
skills/process/separator-modelling	neqsim-separator-modelling	Educational gas/liquid separator screening indicators
skills/pvt/fluid-quality-check	neqsim-fluid-quality-check	Public composition quality checks before simulation
skills/flow-assurance/hydrate-screening	neqsim-hydrate-screening	Educational hydrate risk screening placeholder

These examples are intentionally simple. They are suitable for learning, testing agent workflows, and demonstrating the repository structure. They are not design tools.

Install and Run

Use Python 3.10 or newer.

python -m venv .venv
python -m pip install --upgrade pip
python -m pip install -e ".[test]"
python -m pytest

Install a specific example skill in editable mode:

python -m pip install -e skills/process/separator-modelling
python skills/process/separator-modelling/examples/basic_separator_screening.py

The Python examples do not require confidential data. They detect whether the optional neqsim Python package is available and fall back to public placeholder logic when it is not installed.

How Agents Use Skills

Agents read SKILL.md files when a task matches the skill description and USE WHEN trigger. A good skill gives the agent:

• clear trigger conditions
• expected inputs and outputs
• public engineering assumptions
• Python usage patterns
• validation checks
• common mistakes and limitations

Installed community skills are typically stored under ~/.neqsim/skills/<name>/SKILL.md. VS Code users can also copy a skill file to their user prompts folder and reference it from chat.

Contribute

Start from templates/skill-template, then add your skill under the most relevant domain folder in skills. Follow CONTRIBUTING.md and the standards in docs/skill-standard.md.

Every contribution must:

• use public, reproducible examples
• include SKILL.md, README.md, pyproject.toml, src, examples, and tests
• include pytest coverage for Python logic
• document limitations clearly
• avoid confidential or company-specific information

Public Limitations

Community skills are not a substitute for validated NeqSim models, peer-reviewed methods, project design bases, or qualified engineering judgment. Use validated NeqSim methods and appropriate review for production work, safety-critical decisions, and formal design.