Pure functions allowing to process NMR spectra.
Build and manipulation of correlations from 1D and 2D NMR data
Read and convert any NMR file
Types related to NMR data processing.
Delete/remove Node.js 'node_modules' on Windows using 'subst' to avoid 'The file name is to long' error
A component to display chemical structure for NMR spectra assignments
Simulate NMR spectra from spin systems
NMR chemical shift predictor
Data use to test NMR algorithms
spectra NMR utilities
Extract coupling constants from a complex NMR multiplet
Extract and normalize metadata from NMR spectra
provides JEOL NMR data files for testing purposes
provides JCAMP-DX NMR data files for testing purposes
React component to display and process nuclear magnetic resonance (NMR) spectra.
Provides bruker NMR data files for testing purposes
An editor to View and Edit Chemical Spectra data (NMR, IR, MS, CV, UIVIS, XRD, GC, and DSC).
NMR chemical shift predictor
Provides Quad Systems NMR data files for testing purposes
ACS, NMR-J formater and range resurrector from ACS string
ACS, NMR-J formater and range resurrector from ACS string
Predict 13C NMR chemical shifts from SMILES using HOSE codes and nmrshiftdb2
An editor to View and Edit Chemical Spectra data (NMR, IR and MS).
Context-aware script runner for PNPM monorepos
Parser for ther UCSF NMR file format
Algorithms for NMR Non-Uniform Sampling
Calculating lipid order parameters from Gromacs simulations
High-performance 3D molecular conformer generation using ETKDG distance geometry
CLI tool for high-performance 3D molecular conformer generation
Implementation of the Combinatorial Extension (cealign) algorithm to align protein structures
GUI for the gorder package
Lightweight STAR format parser for CIF, mmCIF, NMR-STAR, and other scientific data formats
High-performance network event daemon for systemd-networkd, NetworkManager, and dhclient with routing policy rules and script execution
Command-line tools for STAR format parsing and processing
A batch library for processing a list of items in parallel
Create seeding files for castep calculation jobs
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