aminophen / chemobabelLinks
LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel
☆28Updated 3 years ago
Alternatives and similar repositories for chemobabel
Users that are interested in chemobabel are comparing it to the libraries listed below
Sorting:
- Strain Visualization for Inherently Strained Organic Molecules☆23Updated 2 years ago
- IQmol version 3☆32Updated 2 months ago
- LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals☆42Updated 2 months ago
- Plots absorption spectra from from ORCA output files☆20Updated last year
- XDrawChem is a two-dimensional molecule drawing program.☆40Updated 4 years ago
- The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3☆32Updated last month
- MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories☆26Updated 6 years ago
- Extended conductor-like polarizable continuum solvation model☆21Updated 9 months ago
- Electronic Lab Notebook☆168Updated this week
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆31Updated 10 months ago
- Plots IR spectra from from ORCA output files☆22Updated last year
- Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.☆81Updated 4 years ago
- A script for importing molecular geometries into Blender☆36Updated 3 years 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
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- Tools and scripts I wrote and regularly use☆75Updated 3 years ago
- ☆61Updated 5 months ago
- Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation☆23Updated last year
- GAMESS wrapper for Python☆46Updated 3 weeks ago
- IQmol is an open source molecular editor and visualization package☆106Updated 2 years ago
- 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
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆67Updated last week
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆38Updated last month
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- A simple X11 molecular viewer☆20Updated last month
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆178Updated 4 months ago
- Plotting graphs from XVGs generated by GROMACS in Python☆31Updated this week
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆16Updated 4 months ago
- eChem: Jupyter book on theoretical chemistry☆110Updated last month
- Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.☆24Updated 7 months ago