QUASAR
Documentation for the CLI, containers, settings, workspaces, and extension paths used by QUASAR's autonomous atomistic research workflows.
Why Use QUASAR
Interface
CLI
Run from the terminal, with shared settings, checkpoint resume, workspace browsing, and archive history.
Scientific Stack
Atomistic Runtime
Container images include the core simulation and analysis stack for DFT, molecular dynamics, adsorption, xTB, ORCA, ML potentials, and cheminformatics.
Models
Flexible Routing
Use one global model or configure Strategist, Operator, and Evaluator models independently, including OpenAI-compatible endpoints.
Traceability
Archived Runs
Completed work is preserved under `quasar_archive/`, while active logs, summaries, and checkpoints remain inspectable during execution.
Current Capabilities
QUASAR v0.4.0 includes the interactive CLI, OpenAI-compatible HTTP endpoints, per-agent model overrides, plan confirmation before execution, checkpoint resume and task revert, adaptive ACCURACY and GRANULARITY modes, context compression controls, local documentation retrieval, and optimized Docker runtimes for CPU and GPU images. See Configuration for environment variables and routing details.
Start Here
Walkthrough
Quick Tutorial
Follow a concrete first run around a silicon band-gap workflow from launch through result inspection.
Setup
Get Started
Choose Docker, Singularity, or local deployment, mount a workspace, and launch QUASAR correctly the first time.
Interface
CLI
Learn the interactive CLI, headless runs, resume behavior, cleanup and revert commands, history browsing, and runtime checks.
Tuning
Configuration
Set models, RAG, execution rigor, task granularity, agent-specific overrides, and long-run behavior.
Results
Workspace & History
Understand where outputs live, what gets preserved, how archives are created, and how to inspect older work.
Advanced
Extending QUASAR
Learn when to install software in the prompt, when to bake it into the environment, and when system-prompt inclusion is enough versus when code changes are needed.