compchem-pytdc-dataset
CommunityValidate PyTDC toxicity datasets in chemistry.
Authorwuyoscar
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This skill helps researchers validate and benchmark PyTDC toxicity templates used in computational chemistry tasks, ensuring data quality and reproducibility across experiments.
Core Features & Use Cases
- Validate toxicity datasets against PyTDC constraints to ensure consistency.
- Generate validation reports and quick summaries for multiple compounds.
- Use Case: Prepare a reproducible toxicity benchmarking workflow for a new dataset.
Quick Start
Run the validation workflow on the provided PyTDC toxicity templates to generate a reproducible data quality report.
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: compchem-pytdc-dataset Download link: https://github.com/wuyoscar/ISC-Bench/archive/main.zip#compchem-pytdc-dataset Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 471,000+ vetted skills library on demand.