COMCIFS / cif_coreLinks
The IUCr CIF core dictionary
☆18Updated last week
Alternatives and similar repositories for cif_core
Users that are interested in cif_core are comparing it to the libraries listed below
Sorting:
- Computational Chemistry Input Generator☆48Updated 8 months ago
- MD trajectory server☆34Updated 2 years ago
- ☆11Updated last year
- Python program for aggregation and reaction☆21Updated 9 months ago
- Flexible storage of chemical topology for molecular simulation☆62Updated last week
- ARC - Automatic Rate Calculator☆46Updated this week
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated 10 months ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 3 months ago
- Molecular Query Language☆33Updated last year
- Quick Reaction Coordinate using Python☆39Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 2 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆32Updated 11 months ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 5 months ago
- MolMod is a collection of molecular modelling tools for python.☆58Updated last year
- The future of Packmol☆35Updated last month
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- Molecular Dynamics in the Open☆82Updated 3 months ago
- An embeddable webGL molecule viewer and file format converter.☆86Updated 3 years ago
- Yet Another extended Hueckel Molecular Orbital Package☆26Updated 3 months ago
- Library for reading and writing chemistry files☆185Updated 2 weeks ago
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Source code for HOLE program.☆34Updated 11 months ago
- A hierarchical, component based molecule builder☆193Updated last week
- Numerical integration grid for molecules.☆50Updated 9 months ago
- Quantum Chemistry Web Platform☆70Updated 4 months ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆130Updated last week
- This library tackles the construction and efficient execution of computational chemistry workflows☆48Updated last year