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Record W4391778808 · doi:10.26434/chemrxiv-2024-33sfl

Chemspyd: An Open-Source Python Interface for Chemspeed Robotic Chemistry and Materials Platforms

2024· preprint· en· W4391778808 on OpenAlexafffund
Martin Seifrid, Felix Strieth‐Kalthoff, Mohammad Haddadnia, Tony Wu, Emre Alca, L Bodø, Sebastian Arellano-Rubach, Naruki Yoshikawa, Marta Skreta, Rachel Keunen, Alán Aspuru‐Guzik

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldEngineering
TopicRobotics and Automated Systems
Canadian institutionsCanadian Institute for Advanced ResearchVector InstituteUniversity of Toronto
FundersNatural Resources CanadaAdvanced Research Projects AgencyDefense Advanced Research Projects Agency
KeywordsPython (programming language)WorkflowComputer scienceSuiteModular designOpen sourceSoftware engineeringInterface (matter)SoftwareSoftware suiteOpen source softwareProgramming languageOperating systemDatabase

Abstract

fetched live from OpenAlex

We introduce Chemspyd, a lightweight, open-source Python package for operating the popular laboratory robotic platforms from Chemspeed Technologies. As an add-on to the existing proprietary software suite, Chemspyd enables dynamic communication with the automated platform, laying the foundation for its modular integration into customizable, higher-level laboratory workflows. We show the applicability of Chemspyd in a set of case studies from chemistry and materials science. We demonstrate how the package can be used with large language models to provide a natural language interface. By providing an open-source software interface for a commercial robotic platform, we hope to inspire the development of open interfaces that facilitate the flexible, adaptive integration of existing laboratory equipment into automated laboratories.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Software · Consensus signal: none
Teacher disagreement score0.045
Threshold uncertainty score0.149

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.004
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0020.003
Open science0.0050.004
Research integrity0.0010.004
Insufficient payload (model declined to judge)0.0450.033

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.025
GPT teacher head0.267
Teacher spread0.243 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreSoftware

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations3
Published2024
Admission routes2
Has abstractyes

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