vosegaard / simpsonLinks
☆22Updated 5 years ago
Alternatives and similar repositories for simpson
Users that are interested in simpson are comparing it to the libraries listed below
Sorting:
- A Python library for NMR simulation☆25Updated last year
- Diffraction Integration for Advanced Light Sources☆93Updated last week
- A module for working with NMR data in Python☆232Updated 4 months ago
- Automatic detection of equilibrated regions of molecular simulations☆17Updated 8 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- A Python module for processing NMR spectra.☆28Updated last week
- Main code repository for FATSLiM☆21Updated 3 years ago
- A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format☆37Updated 2 months ago
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 9 months ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆98Updated 4 years ago
- A hierarchical, component based molecule builder☆198Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆32Updated last year
- Installable VMD as a python module☆144Updated 2 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 3 years ago
- A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.☆10Updated 5 years ago
- IQmol is an open source molecular editor and visualization package☆106Updated 2 years ago
- a quick primer on making prettier (and more impactful) plots☆14Updated 9 years ago
- Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…☆158Updated this week
- A set of Python utilities for reading JCAMP-DX files.☆54Updated last week
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆149Updated last week
- COSMOSS is a Coupled OScillator MOdel Spectrum Simulator☆10Updated 4 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆39Updated this week
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26Updated 4 years ago
- Crystal structure container and parsers for structure formats.☆35Updated last month
- MDAnalysis home page mdanalysis.org as GitHub pages.☆15Updated last month
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆14Updated 2 years ago
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆92Updated 3 weeks ago
- Molecular kaleidoscope☆15Updated 7 years ago
- Computational Crystallography Toolbox☆258Updated last week
- Reads crystallographic cif files and simulates diffraction☆69Updated 2 weeks ago