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blockchain computational chemistry AI Skills

Discover blockchain computational chemistry skills, compare source repositories and read the instructions for each workflow.

Categories: blockchain computational chemistry

Showing 505–528 of 879

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GitHub

lifesciences-pharmacology

donbr

Queries pharmacology databases (ChEMBL, PubChem, DrugBank, IUPHAR) via curl for drug mechanisms, target identification, bioactivity profiling, and indication discovery. This skill should be used when the user a...

GitHub

lifesciences-crispr

donbr

Validates synthetic lethality claims from CRISPR knockout screens using BioGRID ORCS 5-phase workflow. This skill should be used when the user asks to "validate synthetic lethality", "query CRISPR essentiality...

GitHub

compliance-report-generator

euCann

Generate compliance reports from OSCAL assessment results, SSPs, and POA&Ms in various formats. Use this skill to create audit-ready documentation, executive summaries, and detailed compliance status reports.

GitHub

eda-research

l3wi

Component research and procurement. Search JLC for components, analyze datasheets, compare options, and document selections with rationale.

GitHub

patent-reviewer

RobThePCGuy

Expert system for reviewing utility patent applications against USPTO MPEP guidelines.

GitHub

redos-anti-pattern

igbuend

Security anti-pattern for Regular Expression Denial of Service (CWE-1333). Use when generating or reviewing code that uses regex for input validation, parsing, or pattern matching. Detects catastrophic backtrac...

GitHub

pyopenms

hxk622

Complete mass spectrometry analysis platform. Use for proteomics workflows feature detection, peptide identification, protein quantification, and complex LC-MS/MS pipelines. Supports extensive file formats and...

GitHub

benchling-integration

hxk622

Benchling R&D platform integration. Access registry (DNA, proteins), inventory, ELN entries, workflows via API, build Benchling Apps, query Data Warehouse, for lab data management automation.

GitHub

chembl-database

hxk622

Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

GitHub

pdb-database

hxk622

Access RCSB PDB for 3D protein/nucleic acid structures. Search by text/sequence/structure, download coordinates (PDB/mmCIF), retrieve metadata, for structural biology and drug discovery.

GitHub

brenda-database

hxk622

Access BRENDA enzyme database via SOAP API. Retrieve kinetic parameters (Km, kcat), reaction equations, organism data, and substrate-specific enzyme information for biochemical research and metabolic pathway an...

GitHub

pubchem-database

hxk622

Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.

GitHub

protocolsio-integration

hxk622

Integration with protocols.io API for managing scientific protocols. This skill should be used when working with protocols.io to search, create, update, or publish protocols; manage protocol steps and materials...

GitHub

pyhealth

hxk622

Comprehensive healthcare AI toolkit for developing, testing, and deploying machine learning models with clinical data. This skill should be used when working with electronic health records (EHR), clinical predi...

GitHub

geniml

hxk622

This skill should be used when working with genomic interval data (BED files) for machine learning tasks. Use for training region embeddings (Region2Vec, BEDspace), single-cell ATAC-seq analysis (scEmbed), buil...

GitHub

pymatgen

hxk622

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

GitHub

pydeseq2

hxk622

Differential gene expression analysis (Python DESeq2). Identify DE genes from bulk RNA-seq counts, Wald tests, FDR correction, volcano/MA plots, for RNA-seq analysis.

GitHub

pytdc

hxk622

Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.

GitHub

clinicaltrials-database

hxk622

Query ClinicalTrials.gov via API v2. Search trials by condition, drug, location, status, or phase. Retrieve trial details by NCT ID, export data, for clinical research and patient matching.

GitHub

drugbank-database

hxk622

Access and analyze comprehensive drug information from the DrugBank database including drug properties, interactions, targets, pathways, chemical structures, and pharmacology data. This skill should be used whe...

GitHub

kegg-database

hxk622

Direct REST API access to KEGG (academic use only). Pathway analysis, gene-pathway mapping, metabolic pathways, drug interactions, ID conversion. For Python workflows with multiple databases, prefer bioservices...

GitHub

scikit-bio

hxk622

Biological data toolkit. Sequence analysis, alignments, phylogenetic trees, diversity metrics (alpha/beta, UniFrac), ordination (PCoA), PERMANOVA, FASTA/Newick I/O, for microbiome analysis.

GitHub

matchms

hxk622

Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries...

GitHub

molfeat

hxk622

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

The default order uses GitHub repository stars from our indexed data. Stars belong to the source repository and may be shared by multiple skills. They indicate repository interest, not skill installs or an independent quality score.

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