core-cof / CoRE-COF-DatabaseLinks
☆60Updated last year
Alternatives and similar repositories for CoRE-COF-Database
Users that are interested in CoRE-COF-Database are comparing it to the libraries listed below
Sorting:
- ☆63Updated 5 months ago
- ASE interface for fully constant potential with VASP☆36Updated 11 months ago
- cp2k postprocessing tools☆69Updated 3 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆40Updated last year
- ☆51Updated 11 months ago
- ☆61Updated 4 years ago
- ☆29Updated 3 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆40Updated 3 months ago
- ☆62Updated 9 months ago
- ☆69Updated 2 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆63Updated 6 months ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 3 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆68Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆106Updated last month
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆75Updated last week
- ☆44Updated 7 years ago
- A... M... L...☆50Updated 3 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 6 months ago
- ☆30Updated last week
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆57Updated last month
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆103Updated 3 weeks ago
- Python tools to handle CP2K output files☆40Updated this week
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- ☆111Updated 2 years ago