OpenChemistry / chemicaljsonLinks
Development of the Chemical JSON data representation
☆65Updated 11 months ago
Alternatives and similar repositories for chemicaljson
Users that are interested in chemicaljson are comparing it to the libraries listed below
Sorting:
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆75Updated this week
- MD trajectory server☆34Updated last year
- MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online☆87Updated 2 years ago
- Quick Reaction Coordinate using Python☆38Updated 11 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆19Updated 3 weeks ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆47Updated last year
- Parallel implementation of the Effective Fragment Potential Method☆24Updated 3 years ago
- Tools for ThermoML parsing☆20Updated 3 years ago
- Computational Chemistry Input Generator☆46Updated 6 months ago
- Flexible storage of chemical topology for molecular simulation☆62Updated this week
- ☆20Updated last month
- Physical validation of molecular simulations☆56Updated 2 months ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 4 months ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Updated 2 years ago
- MDAnalysis wrapper around Packmol☆31Updated 2 years ago
- energetic sorting of conformer rotamer ensembles☆10Updated 2 years ago
- A Schema for Quantum Chemistry☆99Updated 2 years ago
- ☆11Updated last year
- A python module for manipulating cartesian and internal coordinates.☆79Updated 2 months ago
- A cross-platform application for visualization of molecular databases.☆33Updated 2 years ago
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆20Updated 2 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆129Updated this week
- ☆58Updated 2 months ago
- Automated Monte Carlo Conformational Searching with Python☆17Updated 4 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆42Updated 4 years ago
- a python package for the interfacial analysis of molecular simulations☆87Updated last week
- Dihedral scanner with wavefront propagation☆34Updated last month
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 3 weeks ago