Matchms
Process, clean, compare, and search tandem mass spectra with matchms. Use for MS/MS file I/O, metadata harmonization, peak filtering, spectral similarity, library matching, score matrices, and molecular-similarity networks.
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PUBLIC SKILLS, ONE SEARCHABLE SHELFIndexed 25 Sep 2026 ↗
73–96 of 157 skills
Process, clean, compare, and search tandem mass spectra with matchms. Use for MS/MS file I/O, metadata harmonization, peak filtering, spectral similarity, library matching, score matrices, and molecular-similarity networks.
Build, review, migrate, and safely plan MATLAB or GNU Octave numerical workflows, including arrays, tabular/time data, tests, projects, graphics, MAT files, and explicit Python interoperability.
Medicinal chemistry filters for compound triage. Apply drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.
Modal is a serverless cloud platform for running Python on demand, including on-demand GPUs.
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Queries the NCATS Translator ARAX production API for bounded, typed, provenance-rich one-hop and endpoint-pinned two-hop biomedical knowledge-graph relationships.
Use NeuroKit2 to build or audit reproducible research workflows for physiological time-series preprocessing, event/interval analysis, multimodal alignment, variability, and complexity.
Analyze Neuropixels extracellular recordings end-to-end with SpikeInterface. Covers loading SpikeGLX/Open Ephys/NWB data, preprocessing, drift/motion correction, Kilosort4 (and CPU) spike sorting, quality metrics, and unit curation (threshold-based, model-based UnitRefine, and AI-assisted visual review).
Build, run, and debug Nextflow data pipelines and nf-core workflows end to end. Use whenever the user mentions Nextflow, nf-core, .nf files, nextflow.config, DSL2, processes/channels/operators, samplesheets, or wants to run a community pipeline (e.g. nf-core/rnaseq, nf-core/sarek), write or test a module/subworkflow with nf-test, configure executors/containers (Docker…
Browser automation skill for controlling Google's NotebookLM.
Securely inspect and automate microscopy data workflows against OMERO.server with omero-py, BlitzGateway, OMERO CLI, tables, annotations, ROIs, rendering, and documented OMERO.web APIs.
Query the 1000 Genomes Project dataset (3,202 whole-genome-sequenced individuals, GRCh38) at the level of individual participants.
Resolve free-text scientific labels to ontology term IDs and validate existing CURIEs against the EBI Ontology Lookup Service (OLS4).
Self-hosted, open-source alternative to Google NotebookLM for AI-powered research and document analysis.
Particle Image Velocimetry (PIV) analysis with OpenPIV.
Author, review, migrate, simulate, and troubleshoot official Opentrons Python Protocol API v2 protocols for Flex and OT-2 robots.
GPU-accelerates scientific Python on NVIDIA hardware and verifies that the result is correct and faster.
Operator toolkit for nf-core/pacsomatic matched tumor-normal workflows from BAM inputs.
Search 18 scholarly APIs for papers, preprints, citations, open-access full text, repository records, and journal OA status, and return results with reproducible provenance.
Search and read full-text biomedical papers, FDA/PMDA/EMA regulatory documents, clinical trial registries, and UniProt/PDB/ChEMBL entries with the Paperclip CLI from GXL.
Chat with your agent about projects, recommendations, and canonical papers in Paperzilla.
Use Parallel CLI for web search, URL extraction, deep research, structured data enrichment, entity discovery, and recurring web monitoring.
Patent prior-art and landscape intelligence skill — not generic patent help. Commits to one of five sub-use-cases via forcing intake (novelty search / freedom-to-operate / competitive landscape / acquisition diligence / litigation prior-art) before any search runs.
Source-linked, not execution-tested. Check the publisher’s setup instructions and permissions before use.