OpenChemistry / chemicaljsonLinks
Development of the Chemical JSON data representation
☆66Updated last year
Alternatives and similar repositories for chemicaljson
Users that are interested in chemicaljson are comparing it to the libraries listed below
Sorting:
- MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online☆88Updated 2 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Python program for aggregation and reaction☆21Updated 9 months ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆164Updated 3 weeks ago
- Computational Chemistry Input Generator☆48Updated 8 months ago
- A package for atom-typing as well as applying and disseminating forcefields☆130Updated this week
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- A python module for manipulating cartesian and internal coordinates.☆81Updated last month
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Updated 5 years ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated 9 months ago
- A Schema for Quantum Chemistry☆99Updated 2 years ago
- An embeddable webGL molecule viewer and file format converter.☆86Updated 3 years ago
- Flexible storage of chemical topology for molecular simulation☆62Updated this week
- Molecular Dynamics in the Open☆82Updated 3 months ago
- energetic sorting of conformer rotamer ensembles☆10Updated 2 years ago
- A hierarchical, component based molecule builder☆193Updated this week
- Quick Reaction Coordinate using Python☆39Updated last year
- python simulation interface for molecular modeling☆95Updated 3 years ago
- Template-directed automatic generation of transition state structures.☆11Updated 8 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Macromolecular viewer for crystallographers (WebGL)☆38Updated last year
- ☆20Updated this week
- Tinker: Software Tools for Molecular Design☆142Updated 3 weeks ago
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- MD trajectory server☆34Updated 2 years ago
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆56Updated this week
- An interactive structure/property explorer for materials and molecules☆150Updated this week
- Python Library for Automating Molecular Simulations☆82Updated last week
- Parallel implementation of the Effective Fragment Potential Method☆25Updated 3 years ago