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40d081b | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 | # SciVisAgentBench: Molecular Visualization
This benchmark is designed to evaluate agents on molecular visualization tasks, specifically focusing on tools like VMD (Visual Molecular Dynamics).
## Overview
The benchmark assesses agent capabilities across different levels of complexity:
- **Basic Actions (Easy)**: Simple, atomic commands and operations (Currently implemented).
- **Workflows (Medium)**: Sequences of actions forming a coherent pipeline (Planned).
- **Scientific Tasks (Hard)**: Complex, goal-oriented scientific analysis and visualization (Planned).
## Setup
1. **Data Preparation**:
- Download the PDB file `1CRN` from the [RCSB PDB](https://www.rcsb.org/structure/1CRN).
- Place the downloaded file into the `data/` folder in this directory.
## Usage
You can run the evaluation cases defined in the YAML files (located in the `actions/` directory) using either:
- **Promptfoo**
- The **SciVisAgentBench Evaluation Framework**
Refer to the [main repository](https://github.com/KuangshiAi/SciVisAgentBench/tree/main) for detailed instructions on running the evaluation harness.
## Future Extensions
### SciVisAgentBench: MD Simulations
A placeholder for Molecular Dynamics (MD) simulation tasks is currently reserved. This will be expanded to include setting up, running, and analyzing simulations.
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