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.
☆ 26Voir le skill
Skills IA business computational chemistry
Découvrez les skills business computational chemistry, comparez leurs dépôts et consultez leurs instructions.
Catégories: business computational chemistry
business computational chemistry Effacer les filtres
Explorer
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...
☆ 26Voir le skill
GitHub
medchem
Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.
☆ 26Voir le 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.
☆ 26Voir le 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...
☆ 26Voir le skill
GitHub
pymatgen
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
☆ 26Voir le 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...
☆ 25Voir le 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...
☆ 25Voir le 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...
☆ 23Voir le 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...
☆ 23Voir le 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...
☆ 23Voir le skill
GitHub
patent-reviewer
Expert system for reviewing utility patent applications against USPTO MPEP guidelines.
☆ 22Voir le 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
☆ 22Voir le 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...
☆ 21Voir le 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...
☆ 21Voir le skill
GitHub
literature-search
Comprehensive scientific literature search across PubMed, arXiv, bioRxiv, medRxiv. Natural language queries powered by Valyu semantic search.
☆ 21Voir le skill
GitHub
clinical-trials-search
Search ClinicalTrials.gov with natural language queries. Find clinical trials, enrollment, and outcomes using Valyu semantic search.
☆ 21Voir le skill
GitHub
biomedical-search
Complete biomedical information search combining PubMed, preprints, clinical trials, and FDA drug labels. Powered by Valyu semantic search.
☆ 21Voir le skill
GitHub
drug-discovery-search
End-to-end drug discovery platform combining ChEMBL compounds, DrugBank, targets, and FDA labels. Natural language powered by Valyu.
☆ 21Voir le skill
GitHub
chembl-search
Search ChEMBL bioactive molecules database with natural language queries. Find compounds and assay data with Valyu semantic search.
☆ 21Voir le skill
GitHub
open-targets-search
Search Open Targets drug-disease associations with natural language queries. Target validation powered by Valyu semantic search.
☆ 21Voir le skill
GitHub
drugbank-search
Search DrugBank comprehensive drug database with natural language queries. Drug mechanisms, interactions, and safety data powered by Valyu.
☆ 21Voir le skill
GitHub
drug-labels-search
Search FDA drug labels with natural language queries. Official drug information, indications, and safety data via Valyu.
☆ 21Voir le skill
GitHub
pm-prioritization
Feature prioritization frameworks - RICE scoring, ICE scoring, and Opportunity Solution Trees.
☆ 20Voir le skill
Le classement utilise les étoiles du dépôt GitHub indexé. Plusieurs skills peuvent partager ce nombre : ce n’est ni un nombre d’installations ni une note de qualité.