molclaw-admet
OfficialPredict ADMET properties for input molecules.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of input molecules from SMILES lists or files, accelerating early-stage drug discovery.
Core Features & Use Cases
- Batch ADMET predictions from SMILES lists or SMILES files.
- Per-molecule outputs including key ADMET endpoints and JSON export options.
- Use case: rapidly filter out compounds with unfavorable ADMET profiles during lead optimization to focus on promising candidates.
Quick Start
Provide a SMILES list or a path to a SMILES file to start predictions and receive structured ADMET results.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 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: molclaw-admet Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-admet Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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