goldilocks-agent

LLM orchestration, feedback-driven scientific workflow, and AiiDA execution layer for goldilocks-core. Core decides DFT parameters; this package decides when to ask the user, how to explain a recommendation, and how to run it (bundle download or AiiDA submission).

Status

Real, working chat + tool-calling for Find in Databases (Materials Project/Materials Cloud/NOMAD/JARVIS search). DFT Workbench is real too, but not via chat tool-calling -- it embeds goldilocks-core's own published Workbench UI directly (same content inline, as tabs, and full-page, as a grid), talking to a goldilocks-core HTTP backend goldilocks-agent auto-starts for you (see Configuration). MLIP Playground (local MACE calculations via janus-core, built) and Beyond DFT (panel-only) are parked under Coming soon this release (see Tools). Post Analysis is partial (only its phonon visualizer is real). AiiDA is not built.

This site covers running and configuring goldilocks-agent. For the full product design and a dated log of what's actually been built vs. still planned, see docs/goldilocks-agent-design.md and docs/goldilocks-agent-implementation-plan.md in the repository -- internal working documents, not part of this site.

Layout

src/goldilocks_agent/   Python package (LangGraph orchestration, local HTTP/SSE server, Tools)
app/                    React/Vite frontend (chat + Tools panel; DFT Workbench's inline panel
                        and full-page detail both embed goldilocks-core/web's published UI)
mlip-cli/               Own project (own pyproject.toml), just a `janus-core[mace]` dependency pin --
                        keeps torch/mace out of goldilocks-agent's own env; MLIP Playground shells
                        out to `janus` (janus-core's own CLI) inside it
tests/
docs/                   This site, plus the internal design log

Start with Getting started.