molecular_properties_predictor
OfficialPredict multiple molecular properties in one go.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Predict multiple molecular physicochemical properties for small molecules using a Bamboo-Mixer mono-property backend to accelerate chemical screening and decision-making.
Core Features & Use Cases
- Returns 11 properties (Tm, bp, nD, nD_liquid, pka_a, pka_b, dc, ST, density, vis, vapP) from SMILES inputs in a single run.
- Supports single-molecule and batch predictions, enabling high-throughput screening.
- Outputs a structured JSON with values and units suitable for downstream analysis and reporting.
Quick Start
Input a SMILES string or a batch JSON to obtain predicted properties in a structured JSON.
Dependency Matrix
Required Modules
rdkit
Components
scriptsreferencesassets
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: molecular_properties_predictor Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#molecular-properties-predictor Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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