GitHub
dnanexus-integration
DNAnexus cloud genomics platform. Build apps/applets, manage data (upload/download), dxpy Python SDK, run workflows, FASTQ/BAM/VCF, for genomics pipeline development and execution.
☆ 26View skill
business computational chemistry AI Skills
Discover business computational chemistry skills, compare source repositories and read the instructions for each workflow.
Categories: business computational chemistry
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GitHub
drugbank-database
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...
☆ 26View skill
GitHub
medchem
Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.
☆ 26View skill
GitHub
matchms
Mass spectrometry analysis. Process mzML/MGF/MSP, spectral similarity (cosine, modified cosine), metadata harmonization, compound ID, for metabolomics and MS data processing.
☆ 26View skill
GitHub
datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, paral...
☆ 26View skill
GitHub
pymatgen
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
☆ 26View skill
GitHub
clinical-decision-support
Generate professional clinical decision support (CDS) documents for pharmaceutical and clinical research settings, including patient cohort analyses (biomarker-stratified with outcomes) and treatment recommenda...
☆ 25View skill
GitHub
clinical-reports
Write comprehensive clinical reports including case reports (CARE guidelines), diagnostic reports (radiology/pathology/lab), clinical trial reports (ICH-E3, SAE, CSR), and patient documentation (SOAP, H&P, disc...
☆ 25View skill
GitHub
post-processing
Extract, analyze, and visualize simulation output data. Use for field extraction, time series analysis, line profiles, statistical summaries, derived quantity computation, result comparison to references, and a...
☆ 23View skill
GitHub
performance-profiling
Identify computational bottlenecks, analyze scaling behavior, estimate memory requirements, and receive optimization recommendations for any computational simulation. Use when simulations are slow, investigatin...
☆ 23View skill
GitHub
simulation-validator
Validate simulations before, during, and after execution. Use for pre-flight checks, runtime monitoring, post-run validation, diagnosing failed simulations, checking convergence, detecting NaN/Inf, or verifying...
☆ 23View skill
GitHub
patent-reviewer
Expert system for reviewing utility patent applications against USPTO MPEP guidelines.
☆ 22View skill
GitHub
patent-application-creator
Complete end-to-end patent application creation from invention disclosure to USPTO-ready filing - prior art search, claims drafting, specification writing, diagrams, compliance checking
☆ 22View skill
GitHub
prd-v03-moat-definition
Assess competitor defensibility and define our own moat strategy during PRD v0.3 Commercial Model. Triggers on requests to analyze competitor moats, define our defensibility, assess switching costs, identify vu...
☆ 21View skill
GitHub
linear-solvers
Select and configure linear solvers for systems Ax=b in dense and sparse problems. Use when choosing direct vs iterative methods, diagnosing convergence issues, estimating conditioning, selecting preconditioner...
☆ 21View skill
GitHub
literature-search
Comprehensive scientific literature search across PubMed, arXiv, bioRxiv, medRxiv. Natural language queries powered by Valyu semantic search.
☆ 21View skill
GitHub
clinical-trials-search
Search ClinicalTrials.gov with natural language queries. Find clinical trials, enrollment, and outcomes using Valyu semantic search.
☆ 21View skill
GitHub
biomedical-search
Complete biomedical information search combining PubMed, preprints, clinical trials, and FDA drug labels. Powered by Valyu semantic search.
☆ 21View skill
GitHub
drug-discovery-search
End-to-end drug discovery platform combining ChEMBL compounds, DrugBank, targets, and FDA labels. Natural language powered by Valyu.
☆ 21View skill
GitHub
chembl-search
Search ChEMBL bioactive molecules database with natural language queries. Find compounds and assay data with Valyu semantic search.
☆ 21View skill
GitHub
open-targets-search
Search Open Targets drug-disease associations with natural language queries. Target validation powered by Valyu semantic search.
☆ 21View skill
GitHub
drugbank-search
Search DrugBank comprehensive drug database with natural language queries. Drug mechanisms, interactions, and safety data powered by Valyu.
☆ 21View skill
GitHub
drug-labels-search
Search FDA drug labels with natural language queries. Official drug information, indications, and safety data via Valyu.
☆ 21View skill
GitHub
pm-prioritization
Feature prioritization frameworks - RICE scoring, ICE scoring, and Opportunity Solution Trees.
☆ 20View skill
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.