aclarkxyz / web_sketchel2
SketchEl 2 as a cross platform desktop web application
☆10Updated 2 years ago
Alternatives and similar repositories for web_sketchel2:
Users that are interested in web_sketchel2 are comparing it to the libraries listed below
- XDrawChem is a two-dimensional molecule drawing program.☆39Updated 4 years ago
- OSRA source from http://cactus.nci.nih.gov/osra/☆29Updated 11 years ago
- LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel☆28Updated 2 years ago
- Chemical 2D structure editor application/applet based on the Chemistry Development Kit☆119Updated 3 weeks ago
- Wikipedia chemical structure explorer☆56Updated this week
- A lightweight generic cheminformatics toolkit☆19Updated 8 years ago
- Ideas for chemical similarity searches in MongoDB.☆26Updated 10 years ago
- Tools for ThermoML parsing☆20Updated 3 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated 3 months ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆35Updated this week
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆41Updated 6 years ago
- An open-source, online textbook introducing Python programming to chemistry students☆24Updated 4 years ago
- GAMESS wrapper for Python☆43Updated last year
- Python script to lookup pKa values☆25Updated 4 months ago
- Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)☆9Updated 2 years ago
- Cheminformatics formulae for the Homebrew package manager☆20Updated 6 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 6 years ago
- Tools for creating, analyzing and visualizing Conformation Space Networks☆16Updated 2 years ago
- Template-directed automatic generation of transition state structures.☆9Updated 8 years ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆60Updated this week
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 14 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆34Updated 3 years ago
- Fast Molecular Property Prediction with mordredcommunity☆17Updated 3 weeks ago
- Wrapper to access InChI from Java☆9Updated this week
- Graph-based machine learning for chemical property prediction☆32Updated last week
- Modern and fast molecular analysis and modeling library for C++ and Python☆36Updated 8 months ago
- Simple library for reading trajectory coordinates☆17Updated 8 years ago
- Data science and machine learning in chemical engineering☆21Updated 4 years ago
- ☆11Updated 2 years 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