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Use this skill for FPSim2, the RDKit-based Python toolkit for high-throughput molecular fingerprint similarity search. Covers fingerprint database creation with fpsim2-create-db or create_db_file, in-
Use with AI
Install the MCP server or CLI to instantly fetch Fpsim2 documentation:
Install command
claude mcp add biocontext7 -- npx @biocontext7/mcpOr share this page: biocontext7.com/tools/fpsim2
Programmatic access to the U.S. EPA ToxCast and Tox21 high-throughput screening (HTS) bioactivity data via the CTX APIs. Use to query chemical hazard profiles, AC50 values, and hit-calls across thousa
1 shared topic • 1 shared operation
GRITS Toolbox is a free, open-source desktop application for processing, annotating, and archiving glycomics mass spectrometry data. It automates MS/MS spectral annotation of glycan fragments against
1 shared operation
REDCap (Research Electronic Data Capture) is a secure, web-based application for building and managing online surveys and databases, widely used in clinical and translational research. This skill cove
1 shared operation
TCGAbiolinks for searching, downloading, and analyzing cancer genomics data from the NCI Genomic Data Commons (GDC). Routes tasks for GDCquery/GDCdownload, data preparation with GDCprepare, differenti
1 shared operation
xorca (eXtensible ORCA Grid Adapter) preprocesses NEMO ocean model NetCDF outputs into XGCM-compatible Xarray datasets for grid-aware operations on curvilinear ORCA grids. Use when working with NEMO s
1 shared operation