COMCIFS / cif_coreLinks
The IUCr CIF core dictionary
☆22Updated 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:
- IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification☆12Updated 2 months ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Updated last year
- Flexible storage of chemical topology for molecular simulation☆68Updated last week
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆23Updated this week
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Updated 3 years ago
- Specification of a common REST API for access to materials databases☆100Updated last month
- Computational Chemistry Input Generator☆50Updated 4 months ago
- MD trajectory server☆35Updated 2 years ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆88Updated this week
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Updated 2 weeks ago
- ☆61Updated 6 months ago
- The future of Packmol☆40Updated last week
- Python Library for Automating Molecular Simulations☆88Updated this week
- Quantum Chemistry Web Platform☆71Updated 2 months ago
- ☆11Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆58Updated last week
- Yet Another extended Hueckel Molecular Orbital Package☆28Updated 2 months ago
- Python program for aggregation and reaction☆23Updated last year
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Updated last week
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Updated 2 weeks ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Physical validation of molecular simulations☆57Updated last month
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆35Updated 3 years ago
- ARC - Automatic Rate Calculator☆48Updated this week
- Data for Coordination Complexes for the InChI Identifier☆12Updated 4 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆52Updated 2 years ago
- A python module for manipulating cartesian and internal coordinates.☆86Updated last week
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago