pcxod / olex2Links
☆18Updated last week
Alternatives and similar repositories for olex2
Users that are interested in olex2 are comparing it to the libraries listed below
Sorting:
- Collection of tools for automated processing and clustering of electron diffraction data☆12Updated 6 months ago
- Crystal structure container and parsers for structure formats.☆35Updated 2 weeks ago
- Plots absorption spectra from from ORCA output files☆20Updated last year
- ☆23Updated this week
- quantum chemistry common driver and databases☆16Updated 3 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated 2 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆40Updated 2 weeks ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Updated 10 months ago
- A package for plotting and manipulating 1D spectra☆12Updated last year
- Debye's scattering equation & other analysis of atomistic models.☆56Updated 2 years ago
- A one-stop-shop for handling data in computational spectroscopy☆17Updated 2 weeks ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆16Updated 10 months ago
- Non-covalent index plots in molecular systems.☆20Updated 8 years ago
- ☆21Updated 2 months ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Updated 8 years ago
- Molecular Visualization powered by Plotly☆18Updated 3 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 6 years ago
- Syntax highlighting for Orca input files in vim☆15Updated 3 years ago
- for Quantum Crystallography☆27Updated this week
- An open-source, online textbook introducing Python programming to chemistry students☆27Updated 5 years ago
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated last year
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆10Updated 8 years ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- Repository containing code for analysis of Raman and IR spectra datasets☆27Updated 4 years ago
- ☆35Updated last month
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆27Updated this week
- Set of scripts for working with Topas☆16Updated 7 months ago
- ☆14Updated 2 months ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆48Updated last month