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Timothy Kassis
2025-10-19 15:32:52 -07:00
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README.md
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- **Zarr** - Chunked, compressed N-dimensional array storage
**Multi-omics & Integration:**
- **BioMNI** - Multi-omics data integration with LLM-powered analysis
- **BIOMNI** - Multi-omics data integration with LLM-powered analysis
### Scientific Thinking & Analysis
- **Hypothesis Generation** - Structured frameworks for generating and evaluating scientific hypotheses
- **Scientific Critical Thinking** - Tools and approaches for rigorous scientific reasoning and evaluation
- **Scientific Visualization** - Best practices and templates for creating publication-quality scientific figures
- **Statistical Analysis** - Comprehensive statistical testing, power analysis, and experimental design
## Try in Claude Code, Claude.ai, and the API
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### Claude API
You can use Anthropic's pre-built skills, and upload custom skills, via the Claude API. See the [Skills API Quickstart](https://docs.anthropic.com/claude/skills-api-quickstart) for more.
## TODO: Future Scientific Capabilities (Availble currently in K-Dense)
### Scientific Databases
- **UniProt** - Protein sequence and functional information database
- **KEGG** - Kyoto Encyclopedia of Genes and Genomes for pathways and metabolism
- **ChEMBL** - Bioactive molecules with drug-like properties database
- **NCBI Gene** - Gene-specific information from RefSeq, GenBank, and other sources
- **Protein Data Bank (PDB)** - 3D structural data of biological macromolecules
- **COSMIC** - Catalogue of Somatic Mutations in Cancer
- **ClinVar** - Clinical significance of genomic variants
- **AlphaFold DB** - Protein structure predictions from DeepMind
- **STRING** - Protein-protein interaction networks
- **GEO (Gene Expression Omnibus)** - Functional genomics data repository
- **European Nucleotide Archive (ENA)** - Comprehensive nucleotide sequence database
- **ZINC** - Free database of commercially available compounds for virtual screening
### Bioinformatics & Genomics
- **pysam** - Interface to SAM/BAM/CRAM format files
- **pybedtools** - Wrapper for BEDTools genome arithmetic operations
- **mygene** - Python client for MyGene.Info gene query service
- **pyensembl** - Python interface to Ensembl reference genome metadata
- **nglview** - IPython/Jupyter widget for molecular visualization
- **pyvcf** - Variant Call Format (VCF) file parser
- **pyfaidx** - Efficient FASTA file indexing and retrieval
- **kipoiseq** - Genomic sequence data loading for ML models
- **genomepy** - Download and manage genome assemblies
- **MACS2/3** - Peak calling for ChIP-seq data
### Cheminformatics & Drug Discovery
- **Open Babel** - Chemical file format conversion and molecular mechanics
- **ChemPy** - Chemistry and thermodynamics calculations
- **Psi4** - Quantum chemistry software for ab initio calculations
- **pmapper** - Pharmacophore modeling and fingerprinting
- **ODDT** - Open Drug Discovery Toolkit for structure-based drug design
- **ProLIF** - Protein-ligand interaction fingerprints
- **Mordred** - Molecular descriptor calculator (1800+ descriptors)
- **ProteinMPNN** - Deep learning for protein sequence design
- **ESM** - Evolutionary Scale Modeling for protein language models
- **OpenMM** - Molecular dynamics simulation toolkit
### Proteomics & Mass Spectrometry
- **pyteomics** - Mass spectrometry data analysis
- **pyOpenMS** - OpenMS Python bindings for proteomics
- **matchms** - Processing and similarity matching of mass spectrometry data
- **MSstats** - Statistical analysis of quantitative proteomics
### Systems Biology & Networks
- **NetworkX** - Complex network analysis and graph algorithms
- **igraph** - Fast network analysis library
- **PyBioNetFit** - Biological network modeling and fitting
- **PINT** - Pathway integration analysis
- **GEMEditor** - Graphical tool for genome-scale metabolic models
### Structural Biology
- **MDAnalysis** - Molecular dynamics trajectory analysis
- **ProDy** - Protein dynamics and structure analysis
- **PyMOL** - Molecular visualization scripting
- **Chimera/ChimeraX** - UCSF molecular visualization
- **FreeSASA** - Solvent accessible surface area calculations
- **DSSP** - Secondary structure assignment
### Machine Learning for Science
- **DGL-LifeSci** - Deep Graph Library for life sciences
- **ChemBERTa** - Transformer models for chemistry
- **TorchDrug** - PyTorch library for drug discovery
- **GraNNField** - Graph neural networks for force fields
- **SchNet/DimeNet** - Continuous-filter convolutional networks for molecules
- **MoleculeNet** - Benchmark datasets for molecular machine learning
- **TorchMD** - Molecular dynamics with PyTorch
- **jax-md** - Differentiable molecular dynamics in JAX
### Imaging & Microscopy
- **scikit-image** - Image processing algorithms
- **CellProfiler** - Cell image analysis
- **Napari** - Multi-dimensional image viewer
- **Fiji/ImageJ** - Image processing scripting
- **StarDist** - Cell/nucleus detection with deep learning
- **Cellpose** - Generalist cell segmentation
### Phylogenetics & Evolution
- **DendroPy** - Phylogenetic computing library
- **PyCogent** - Comparative genomics toolkit
- **TreeTime** - Phylodynamic analysis and molecular clock inference
### Metabolomics
- **PyCytoData** - Cytometry data processing
- **MS-DIAL** - Data-independent MS/MS deconvolution
- **XCMS** - LC/MS and GC/MS data processing
### Climate & Environmental Science
- **xarray** - N-dimensional labeled arrays and datasets
- **Iris** - Climate and weather data analysis
- **MetPy** - Meteorological data toolkit
- **climlab** - Climate modeling and analysis
### Statistics & Experimental Design
- **statsmodels** - Statistical models and hypothesis testing
- **pingouin** - Statistical tests with clear output
- **PyDOE2** - Design of experiments
- **scipy.stats** - Statistical functions and distributions
### Data Management & Processing
- **Dask** - Parallel computing for analytics
- **Parquet** - Columnar storage format for big data
- **DuckDB** - Analytical SQL database
- **SQLAlchemy** - SQL toolkit and ORM
### Visualization
- **Plotly** - Interactive graphing library
- **Bokeh** - Interactive visualization for web browsers
- **Altair** - Declarative statistical visualization
- **PyVista** - 3D plotting and mesh analysis