mmb-irb /

MDDB-workflow

mmb-irb/MDDB-workflow (Python)

A new way for AI to search for data
View on GitHub
12GitHub stars

Python

What XERJ indexed

Snapshot

Whole repository

The whole repository at commit a1e6d4a7d7 (2026-10-09).

Selected work

Daniel Beltrán
@d-beltran

“improved pbc box testing”. 6 files, 213 lines in mddb_workflow.

Licence

The repository

Apache-2.0

Checked by a person at the pinned commit.

The XERJ corpus

Apache-2.0, with credit

The author agreed by email on 2026-10-19. Same terms as the repository. Answers name the repo, the commit and the file:line.

in licence reviewnot in the hub yetsuggested use: adapt with attribution

molecular-dynamics

Example questions

The prompt

Paste it into your AI agent. It clones mmb-irb/MDDB-workflow at the pinned commit and indexes it on your machine.

Search the GitHub repository mmb-irb/MDDB-workflow with XERJ (https://hub.xerj.org/corpus/mmb-irb--mddb-workflow).
Run these in a shell, in order, and check each result before the next:
1. xerj --help  (success: it prints usage). If xerj is missing: curl -fsSL https://xerj.org/get | sh
2. git clone https://github.com/mmb-irb/MDDB-workflow MDDB-workflow && git -C MDDB-workflow checkout a1e6d4a7d741f84f3ebe9082962f7a95e5e32502
3. Start a local node and leave it running: xerj --insecure --data-dir ./xerj-data
4. xerj autoindex ./MDDB-workflow --url http://127.0.0.1:9200 --prefix mddb-workflow --progress plain
5. xerj autoindex map --url http://127.0.0.1:9200
Then answer my question from the indexed files and cite the ax_path of every hit. Query syntax: https://xerj.org/llms.txt
Licence: Apache-2.0. Keep the copyright notice and credit the authors.

Related

Daniel BeltránAPI design and specification corporaasifverse4/100-days-of-computational-chemistryjigonzalez930209/sci-form

Selected work and consent: the XERJ registry.