SmileSherlock

A high-performance, production-grade tool for SMILES validation, PubChem lookups, and chemical structure retrieval

A new way for AI to search for data
View on GitHub
0GitHub stars
76commits on main
0forks
v1.7.0latest release, 2026-08-27

Python 100% · created 2026-08-02 · last push 2026-08-27

What XERJ indexed

Snapshot

59 files · 1.3 MB

The whole repository at commit 7675490055. 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

bioinformaticscheminformaticschemistrychemoinformaticsclicomputational-chemistrymetabolitespubchem

Example questions

Inside the indexed corpus

Licence on GitHub and in the corpus

GitHub reported MIT for AtharvaTilewale/SmileSherlock on 2026-10-31, and the LICENSE file at commit 7675490055 was reviewed as MIT. They match, so answers from this corpus carry the same terms as the live repository.

Contributors

Atharva Tilewale (@AtharvaTilewale) has 6 selected repositories on the hub.

Their other repository pages: AtharvaTilewale/boltz2-notebook, AtharvaTilewale/ChemLitmus, AtharvaTilewale/ConformAtlas, AtharvaTilewale/FELBuilder, AtharvaTilewale/meowmd.

Using XERJ with SmileSherlock

The prompt

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

Search the GitHub repository AtharvaTilewale/SmileSherlock with XERJ (https://hub.xerj.org/corpus/atharvatilewale--smilesherlock).
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/SmileSherlock SmileSherlock && git -C SmileSherlock checkout 7675490055f083b292f25cb7b1aaea0e5be50c7d
3. Start a local node and leave it running: xerj --insecure --data-dir ./xerj-data
4. xerj autoindex ./SmileSherlock --url http://127.0.0.1:9200 --prefix smilesherlock --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.