aminophen / chemobabel
LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel
☆28Updated 2 years ago
Alternatives and similar repositories for chemobabel
Users that are interested in chemobabel are comparing it to the libraries listed below
Sorting:
- The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3☆29Updated last month
- Strain Visualization for Inherently Strained Organic Molecules☆22Updated 2 years ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆25Updated this week
- XDrawChem is a two-dimensional molecule drawing program.☆39Updated 4 years ago
- Plots absorption spectra from from ORCA output files☆19Updated 7 months ago
- SketchEl 2 as a cross platform desktop web application☆10Updated 2 years ago
- Recognising hand-drawn molecules with neural networks☆30Updated 2 years ago
- Python script to lookup pKa values☆26Updated 7 months ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆18Updated 3 years ago
- An open-source effort towards accessible polymer data☆33Updated 4 years ago
- Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.☆77Updated 4 years ago
- comprehensive support for typesetting chemistry documents☆35Updated last year
- A python script to plot an energy level diagram from an input file.☆28Updated 4 years ago
- ☆34Updated 3 weeks ago
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Quantum to Molecular Mechanics (Q2MM)☆22Updated 2 years ago
- ☆68Updated 3 weeks ago
- ☆58Updated last month
- Plotting graphs from XVGs generated by GROMACS in Python☆23Updated 11 months ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Updated 3 years ago
- LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals☆34Updated this week
- Automatic MARTINI parametrization of small organic molecules☆66Updated 5 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated last week
- Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation☆21Updated last year
- reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆12Updated 5 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- GAMESS wrapper for Python☆45Updated last year
- JupyterLab extension for py3Dmol☆20Updated 3 years ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆37Updated 2 months ago
- Pipeline for automated extraction of chemical property information from scientific documents☆18Updated 6 years ago