tools computational chemistry AI 技能

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GitHub

pyhealth

K-Dense-AI

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...

☆ 8,603查看技能

GitHub

qiskit

K-Dense-AI

IBM quantum computing framework. Use when targeting IBM Quantum hardware, working with Qiskit Runtime for production workloads, or needing IBM optimization tools. Best for IBM hardware execution, quantum error...

☆ 8,603查看技能

GitHub

benchling-integration

K-Dense-AI

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.

☆ 8,603查看技能

GitHub

hmdb-database

K-Dense-AI

Access Human Metabolome Database (220K+ metabolites). Search by name/ID/structure, retrieve chemical properties, biomarker data, NMR/MS spectra, pathways, for metabolomics and identification.

☆ 8,603查看技能

GitHub

uniprot-database

K-Dense-AI

Direct REST API access to UniProt. Protein searches, FASTA retrieval, ID mapping, Swiss-Prot/TrEMBL. For Python workflows with multiple databases, prefer bioservices (unified interface to 40+ services). Use thi...

☆ 8,603查看技能

GitHub

cirq

K-Dense-AI

Google quantum computing framework. Use when targeting Google Quantum AI hardware, designing noise-aware circuits, or running quantum characterization experiments. Best for Google hardware, noise modeling, and...

☆ 8,603查看技能

GitHub

clinical-reports

K-Dense-AI

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...

☆ 8,603查看技能

GitHub

alphafold-database

K-Dense-AI

Access AlphaFold 200M+ AI-predicted protein structures. Retrieve structures by UniProt ID, download PDB/mmCIF files, analyze confidence metrics (pLDDT, PAE), for drug discovery and structural biology.

☆ 8,603查看技能

GitHub

torchdrug

K-Dense-AI

PyTorch-native graph neural networks for molecules and proteins. Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom model development,...

☆ 8,602查看技能

GitHub

fda-database

K-Dense-AI

Query openFDA API for drugs, devices, adverse events, recalls, regulatory submissions (510k, PMA), substance identification (UNII), for FDA regulatory data analysis and safety research.

☆ 8,602查看技能

GitHub

clinvar-database

K-Dense-AI

Query NCBI ClinVar for variant clinical significance. Search by gene/position, interpret pathogenicity classifications, access via E-utilities API or FTP, annotate VCFs, for genomic medicine.

☆ 8,602查看技能

GitHub

scikit-bio

K-Dense-AI

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

☆ 8,602查看技能

GitHub

protocolsio-integration

K-Dense-AI

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...

☆ 8,602查看技能

GitHub

gtars

K-Dense-AI

High-performance toolkit for genomic interval analysis in Rust with Python bindings. Use when working with genomic regions, BED files, coverage tracks, overlap detection, tokenization for ML models, or fragment...

☆ 8,602查看技能

GitHub

pydeseq2

K-Dense-AI

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.

☆ 8,602查看技能

GitHub

scientific-brainstorming

K-Dense-AI

Creative research ideation and exploration. Use for open-ended brainstorming sessions, exploring interdisciplinary connections, challenging assumptions, or identifying research gaps. Best for early-stage resear...

☆ 8,602查看技能

GitHub

simpy

K-Dense-AI

Process-based discrete-event simulation framework in Python. Use this skill when building simulations of systems with processes, queues, resources, and time-based events such as manufacturing systems, service o...

☆ 8,602查看技能

GitHub

pytdc

K-Dense-AI

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

☆ 8,602查看技能

GitHub