FELBuilder

FELBuilder is an automated Python pipeline that automates the complex workflow of Principal Component Analysis (PCA) and Free Energy Landscape (FEL) analysis from Molecular Dynamics (MD) trajectories

A new way for AI to search for data
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4commits on main
1forks

Python 97.8%, Shell 2.2% · created 2025-11-16 · last push 2026-08-10

What XERJ indexed

Snapshot

10 files · 895.2 KB

The whole repository at commit c62f11c6bf. It is the newest commit on main.

Selected work

Atharva Tilewale
@AtharvaTilewale

Licence

The repository

MIT

LICENSE file checked at the pinned commit; the author agreed to inclusion.

The XERJ corpus

MIT, with credit

The owner added it on hub.xerj.org after signing in with GitHub, on 2026-10-28. Same terms as the repository. Answers name the repo, the commit and the file:line.

selected for the XERJ Corpus Hublicence clearedsuggested use: adapt with attribution

felmdmd-simulationmolecular-dynamicspcaprincipal-component-analysistrajectory-analysistrajectory-clustering

Example questions

The prompt

Paste it into your AI agent. It clones AtharvaTilewale/FELBuilder at the pinned commit and indexes it on your machine.

Search the GitHub repository AtharvaTilewale/FELBuilder with XERJ (https://hub.xerj.org/corpus/atharvatilewale--felbuilder).
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/AtharvaTilewale/FELBuilder FELBuilder && git -C FELBuilder checkout c62f11c6bfa8799d4341b375f3e1c3dfde92d5bb
3. Start a local node and leave it running: xerj --insecure --data-dir ./xerj-data
4. xerj autoindex ./FELBuilder --url http://127.0.0.1:9200 --prefix felbuilder --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: MIT. Keep the copyright notice and credit the authors.

Related

Stats: GitHub API, fetched 2026-10-31. Snapshot: the git tree at the pinned commit. Selected work and consent: the XERJ registry.