bennomeier / pyNMRLinks
A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format
☆37Updated 2 months ago
Alternatives and similar repositories for pyNMR
Users that are interested in pyNMR are comparing it to the libraries listed below
Sorting:
- A module for working with NMR data in Python☆236Updated last week
- A Python module for processing NMR spectra.☆29Updated this week
- A set of Python utilities for reading JCAMP-DX files.☆55Updated 2 weeks ago
- Python interface of cpptraj☆182Updated 8 months ago
- SPIKE a collaborative development for a FT-spectroscopy processing program.☆20Updated last week
- A Python library for NMR simulation☆25Updated last year
- LOOS: a lightweight object-oriented structure analysis library☆125Updated this week
- LiveCoMS GROMACS Tutorials Paper☆126Updated 6 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆179Updated 3 weeks ago
- Installable VMD as a python module☆146Updated 3 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆66Updated this week
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆436Updated 3 weeks ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- ☆22Updated 5 years ago
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆31Updated 2 months ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆204Updated this week
- ☆127Updated 9 years ago
- Python wrapper for the ChemSpider API☆119Updated 7 years ago
- Visual Interactive Analysis of Molecular Dynamics☆306Updated last week
- A primer on statistical mechanics for biochemists☆47Updated 3 years ago
- Collective variables library for molecular simulation and analysis programs☆231Updated this week
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆127Updated last year
- A hierarchical, component based molecule builder☆199Updated this week
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆49Updated 3 years ago
- macromolecular crystallography library and utilities☆285Updated this week
- APBS - software for biomolecular electrostatics and solvation☆129Updated 5 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆40Updated 2 weeks ago
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆284Updated 3 weeks ago