| # 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. | |