COMCIFS / cif_coreLinks
The IUCr CIF core dictionary
☆20Updated 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:
- An embeddable webGL molecule viewer and file format converter.☆86Updated 3 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
- MD trajectory server☆34Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆63Updated last week
- Specification of a common REST API for access to materials databases☆94Updated last month
- Molecular Query Language☆34Updated last year
- Computational Chemistry Input Generator☆48Updated 9 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆79Updated this week
- A python module for manipulating cartesian and internal coordinates.☆85Updated last month
- Molecular Dynamics in the Open☆83Updated this week
- Data structures, algorithms, and parsing for crystallography☆50Updated 7 months ago
- Library for reading and writing chemistry files☆187Updated 2 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated last week
- Quantum Chemistry Web Platform☆70Updated 2 weeks ago
- Tinker: Software Tools for Molecular Design☆145Updated this week
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Computational Crystallography Toolbox☆258Updated this week
- for Quantum Crystallography☆26Updated this week
- NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.☆94Updated this week
- A package for atom-typing as well as applying and disseminating forcefields☆133Updated last week
- Tools for ThermoML parsing☆21Updated 3 years ago
- IUPAC SMILES+ Specification☆39Updated last year
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆169Updated last week
- Tinker-GPU: Next Generation of Tinker with GPU Support☆54Updated 3 weeks ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated 11 months ago
- ☆60Updated last month
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆38Updated 3 weeks ago
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆21Updated 3 months ago
- Main InChI repository☆97Updated this week
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 4 months ago