surface_tension_predictor

Predict SMILES-based surface tension references using RDKit and Mordred descriptors.

52|11|Updated Mar 10, 2026
One-click install
npx skills add https://github.com/InternScience/ChemClaw --skill surface-tension-predictor
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: surface_tension_predictor
Source: https://github.com/InternScience/ChemClaw/tree/main/skills/surface-tension-predictor
Command: npx skills add https://github.com/InternScience/ChemClaw --skill surface-tension-predictor

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires rdkit, numpy, joblib, scikit-learn, pandas, mordred, and includes scripts (resource) and references (resource) components.

What problem does it solve?

Based on SMILES, this skill outputs surface tension references related to surfactant tasks, enabling OpenClaw integration and local execution for engineering validation.

Core Features & Use Cases

  • Provides SMILES-driven surface tension reference predictions for surfactant-related tasks.
  • Supports dual backends: a lightweight baseline heuristic and a public_joblib reference model for comparison.
  • Facilitates local runs, OpenClaw integration, model testing, and workflow validation across development and deployment.
  • Useful for benchmarking different molecules, validating model integration, and comparing outputs against baseline estimates.

Quick Start

Provide a SMILES string to obtain a surface tension reference prediction.

Frequently Asked Questions about surface_tension_predictor

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I predict surface tension from a SMILES string for surfactant tasks?

To predict surface tension from a SMILES string, provide the molecular structure as input to generate reference values using RDKit and Mordred descriptors for surfactant engineering validation.

What is the difference between the baseline and public_joblib models for surface tension prediction?

The baseline backend provides a lightweight heuristic estimate, while the public_joblib backend uses a reference machine learning model to generate predictions, allowing comparison and model integration validation.

Can I use scikit-learn and joblib models to run local surface tension predictions?

Yes, you can execute local surface tension predictions using scikit-learn and joblib by loading optional model files and parameter bundles to perform end-to-end inference via the public_joblib backend.

What chemoinformatics descriptors are needed to calculate surface tension references with RDKit?

Surface tension references rely on RDKit and Mordred descriptors calculated from the input SMILES string to perform machine learning inference and benchmark different molecules.

Does the surface tension predictor support OpenClaw integration for workflow testing?

Yes, the surface tension predictor supports OpenClaw integration, facilitating local runs, model testing, and workflow validation across development and deployment environments.

What are the limitations of using SMILES-based machine learning for surface tension prediction?

Predictions are limited by the optional model files and parameter bundles required for end-to-end inference, and baseline heuristic estimates may differ from public_joblib reference model outputs depending on the molecule.