Scientific Computing Bundle

Simulation, quantum systems, computational chemistry and physics, and research tooling.

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Included Skills (9)

  1. Primer Design — The skill designs and audits PCR and RT‑qPCR primers using Primer3, applying thermodynamic constraints and reference‑based off‑target searches to generate traceable sequence coordinates. Researchers benefit from accurate primer pair design, validation of existing primers, and specialized applications such as exon‑junction assays or variant masking. The output clearly separates computational candidates from experimentally validated results, ensuring reliable primer selection for downstream experiments.
  2. Weather Model Run Discovery — Resolve the newest complete numerical weather prediction cycle and forecast objects across provider mirrors without downloading full payloads.
  3. Weather Pipeline Performance Diagnosis — Diagnose slow weather-data workflows by measuring discovery, transfer, parsing, scientific processing, and rendering separately before changing code.
  4. Uniprot Database — The Uniprot Database skill offers direct REST API access to UniProt, enabling protein searches, FASTA retrieval, and ID mapping across Swiss-Prot and TrEMBL. It integrates seamlessly into Python workflows, providing a unified interface to multiple databases while allowing specialized control for UniProt-specific tasks. Researchers and bioinformaticians benefit from streamlined data retrieval and efficient cross-referencing within their analytical pipelines.
  5. Weather Data Reproducibility — Record and verify provenance manifests for weather-data inputs and derived artifacts, including object identity, selections, software versions, transformations, and hashes.
  6. Julia Pro — Master Julia 1.10+ with modern features, performance optimization, multiple dispatch, and production-ready practices.
  7. Qiime2 Amplicon — The Qiime2 Amplicon skill transforms paired‑end 16S amplicon reads into QIIME 2 ASVs, assigns taxonomy, and preserves artifact provenance while validating FASTQ manifests, primer orientation, overlap, sample IDs, runtime versions, and read retention. It recommends compatible taxonomic classifiers to ensure accurate classification. Researchers and bioinformaticians use it to generate reliable, reproducible microbiome profiles.
  8. Nmrglue — Nmrglue processes calibrated one‑dimensional complex NMR free‑induction decays, verifying the ppm axis, applying apodization, performing Fourier transformation, manual phasing, and baseline correction. It produces phased spectra, identifies peak candidates, and defines signed integration regions, enabling researchers and spectroscopists to conduct streamlined, accurate analysis and reliable integration of NMR data.
  9. Weather Data Lifecycle Management — Manage ownership, retention, and cleanup of downloaded weather data across one-shot jobs, interactive viewers, caches, failures, and cancellation.

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