NFDI4Chem / nmrium-react-wrapper
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
☆10Updated this week
Alternatives and similar repositories for nmrium-react-wrapper:
Users that are interested in nmrium-react-wrapper are comparing it to the libraries listed below
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆60Updated this week
- A Python library for NMR simulation☆23Updated last year
- A Python module for processing NMR spectra.☆23Updated this week
- Draw molecules with plotly!☆43Updated 6 months ago
- Resources for and by the #codingForChemists Discord community!☆10Updated last year
- Plots IR spectra from from ORCA output files☆16Updated 5 months ago
- The ELN custom schemas from synthesis experiments☆11Updated 2 months ago
- Jupyter Notebooks and supporting files for incorporating Python programming into a lower division analytical chemistry course☆9Updated 2 years ago
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆47Updated 3 years ago
- ☆95Updated 3 years ago
- A set of Python utilities for reading JCAMP-DX files.☆54Updated 2 months ago
- Quantum Chemistry Web Platform☆68Updated this week
- An open-source effort towards accessible polymer data☆32Updated 4 years ago
- Main InChI repository☆77Updated this week
- CGRs, molecules and reactions manipulation☆44Updated 2 years ago
- ☆68Updated this week
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Updated 2 years ago
- Set of python scripts for the correction of DSC data.☆22Updated 3 months ago
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆142Updated 6 months ago
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆29Updated 3 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆20Updated this week
- Simple RDKit molecule editor GUI using PySide☆144Updated last month
- In silico chemical library engine for high-accuracy chemical property prediction☆58Updated last week
- Python Library for Automating Molecular Simulations☆70Updated this week
- SMILES Depiction Generator☆55Updated last month
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆32Updated 3 weeks ago
- Electronic Lab Notebook☆146Updated this week
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆51Updated 4 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated last year