pxmeter

Run PXMeter metrics (LDDT, DockQ, RMSD, PoseBusters) against reference CIFs and output JSON/Parquet.

98|11|Updated Jun 19, 2025
One-click install
npx skills add https://github.com/bytedance/PXMeter --skill pxmeter
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: pxmeter
Source: https://github.com/bytedance/PXMeter/tree/main
Command: npx skills add https://github.com/bytedance/PXMeter --skill pxmeter

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

PXMeter provides a scalable, end-to-end evaluation workflow for biomolecular structure predictions, enabling rigorous, multi-metric quality assessment against reference structures.

Core Features & Use Cases

  • Supports single-sample CIF evaluations and large-scale benchmark datasets.
  • Computes LDDT, DockQ, pocket RMSD, and PoseBusters validity across proteins, nucleic acids, and ligands.
  • CLI and Python API integration for flexible workflows and automated result parsing.

Quick Start

Invoke PXMeter to evaluate CIF predictions and interpret the resulting JSON/Parquet outputs, using either the CLI or Python API.

Frequently Asked Questions about pxmeter

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

FAQPage Schema
How do I evaluate biomolecular structure predictions using LDDT and DockQ?

Biomolecular structure evaluation computes LDDT, DockQ, pocket RMSD, and PoseBusters metrics against reference CIFs. This Skill automates PXMeter evaluation for both single-sample checks and large-scale benchmark datasets, outputting parsed JSON or Parquet files.

Can I run large-scale protein structure benchmarks across multiple prediction tools?

Yes, large-scale protein structure benchmarks are supported. You can compare performance across multiple prediction tools and datasets by running PXMeter metrics via CLI or Python API, enabling rapid automated evaluation of extensive CIF prediction sets.

How do I automate PoseBusters validity checks for CIF files?

Automating PoseBusters validity checks requires a PXMeter setup with CLI or Python API access. The workflow evaluates CIF predictions against reference structures and outputs parsed results in JSON or Parquet formats for downstream analysis.

What file formats are needed for RMSD and LDDT structure evaluation?

RMSD and LDDT structure evaluation requires CIF format files for both predictions and reference structures. The workflow parses these inputs to compute multi-metric quality assessments and exports the evaluated results as JSON or Parquet outputs.

Does PXMeter support nucleic acid and ligand structure evaluation?

Yes, PXMeter supports structure evaluation across proteins, nucleic acids, and ligands. It computes LDDT, DockQ, pocket RMSD, and PoseBusters validity metrics for comprehensive biomolecular quality assessment.

What's the best way to parse and export PXMeter structure evaluation results?

The best way to parse PXMeter structure evaluation results is using the Python API or CLI. The workflow automatically processes computed metrics and exports parsed outputs in JSON or Parquet formats for immediate downstream analysis.