molclaw-mol-hydrophobicity-metrics
OfficialCompute hydrophobicity metrics from SMILES.
Data & Analytics#smiles#chemoinformatics#hydrophobicity#logp#molar_refractivity#molecule-descriptors
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Computes hydrophobicity-related molecular descriptors (logP and molar refractivity) for a given list of SMILES strings, enabling rapid cheminformatics assessments.
Core Features & Use Cases
- Compute per-molecule logP and molar refractivity from SMILES inputs.
- Accept batch inputs and return structured metrics for downstream analysis.
- Use Case: Prioritize molecules for optimization based on hydrophobicity profiles.
Quick Start
Invoke calculate_mol_hydrophobicity with a list of SMILES to obtain per-molecule logP and molar refractivity.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
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Please help me install this Skill: Name: molclaw-mol-hydrophobicity-metrics Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-mol-hydrophobicity-metrics Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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