Commit History
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Fix session: send X-Session-Id header on all API requests
Verified signatureac5d48a -
Sync CpptrajAI: updated code, README, agent flow diagram
Verified signatured9ad05e
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Fix Docker: use mambaforge + mamba; add PDB test data
hemantn +1: Claude Sonnet 4.6- condaforge/mambaforge base image solves cpptraj from conda-forge - Add water-stripped test_traj.pdb (text, no binary push issues) - Add protein.prmtop (text AMBER topology) Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>1434874 -
Deploy CpptrajGPT to HuggingFace Spaces
hemantn +1: Claude Sonnet 4.6- Flask + multi-user session isolation (per-session runner/agent/state) - AI agent: Claude, OpenAI (Responses API), Gemini (native SDK) - cpptraj editor, Python editor, 3D trajectory viewer - RAG over cpptraj manual (pre-built cache JSON) - Dockerfile: conda-forge cpptraj, port 7860, non-root user Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>037ba33