xyz2mol VS octadist

Compare xyz2mol vs octadist and see what are their differences.

xyz2mol

Converts an xyz file to an RDKit mol object (by jensengroup)
computational-chemistry
Source Code
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octadist

A tool for calculating distortion parameters in coordination complexes. (by OctaDist)
Science Chemistry inorganic-chemistry Crystallography coordination-chemistry spin-crossover octahedral-distortion octahedral-distortion-parameters Octahedron Python3 tkinter-gui octahedral-distortion-analysis Distortion computational-chemistry HacktoberFest hacktoberfest2022 Python
Source Code
octadist.github.io
Docs
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xyz2mol octadist
1 -
237 15
3.8% -
1.5 7.3
about 2 months ago about 1 month ago
Python Python
MIT License GNU General Public License v3.0 only
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
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xyz2mol

Posts with mentions or reviews of xyz2mol. We have used some of these posts to build our list of alternatives and similar projects.
  • CIF to 2D diagram
    1 project | /r/crystallography | 16 Feb 2023
    There are cases where bond order has to be corrected. Beside a manual correction, an alternative route is to shred all information by passing to .xyz submitted to xyz2mol by Jensen et al. (a video with Jensen presenting the tool at a RDKit meeting in 2020). This safety net works especially well in absence of organometallic structures.

octadist

Posts with mentions or reviews of octadist. We have used some of these posts to build our list of alternatives and similar projects.

We haven't tracked posts mentioning octadist yet.
Tracking mentions began in Dec 2020.

What are some alternatives?

When comparing xyz2mol and octadist you can also consider the following projects:

CalcUS - Quantum Chemistry Web Platform

SimPy

cclib - Parsers and algorithms for computational chemistry logfiles

QuTiP - QuTiP: Quantum Toolbox in Python

ScaffoldGraph - ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

salabim - salabim - discrete event simulation

ccinput - Computational Chemistry Input Generator

Colour - Colour Science for Python

pyar - Python program for aggregation and reaction

ObsPy - ObsPy: A Python Toolbox for seismology/seismological observatories.

OpenChem - OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

GuitarTuner - Guitar tuner program made with Python, Tkinter and PyAudio.

xyz2mol vs CalcUS octadist vs SimPy xyz2mol vs cclib octadist vs QuTiP xyz2mol vs ScaffoldGraph octadist vs salabim xyz2mol vs ccinput octadist vs Colour xyz2mol vs pyar octadist vs ObsPy xyz2mol vs OpenChem octadist vs GuitarTuner