cheminfo / nmriumLinks
React component to display and process nuclear magnetic resonance (NMR) spectra.
☆72Updated this week
Alternatives and similar repositories for nmrium
Users that are interested in nmrium are comparing it to the libraries listed below
Sorting:
- In silico chemical library engine for high-accuracy chemical property prediction☆62Updated 9 months ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆114Updated 7 months ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆42Updated last year
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆63Updated 2 weeks ago
- Main InChI repository☆104Updated this week
- IUPAC SMILES+ Specification☆41Updated 2 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Updated last month
- Chemical Structure Handling for Pandas DataFrames☆34Updated 3 years ago
- ☆26Updated 4 years ago
- Draw molecules with plotly!☆53Updated last month
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆87Updated last month
- Enable cheminformatics and quantum chemistry☆77Updated 2 years ago
- Open source Java-based chemistry library☆113Updated last week
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Updated 4 months ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆32Updated 3 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 8 months ago
- SMILES Depiction Generator☆64Updated 2 months ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- The pDynamo molecular modeling and simulation program☆44Updated 2 months ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆32Updated last year
- Direct-to-SVG small molecule drawer.☆31Updated 11 months ago
- Create molecular hashes☆27Updated 6 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 7 months ago
- An open-source effort towards accessible polymer data☆41Updated 5 years ago
- ☆55Updated 8 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆71Updated 2 weeks ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆64Updated 2 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆81Updated last week