core-cof / CoRE-COF-DatabaseLinks
☆62Updated 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:
- cp2k postprocessing tools☆73Updated 6 months ago
- ☆71Updated 7 months ago
- ☆60Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- Tutorials related to GPUMD☆67Updated this week
- ASE interface for fully constant potential with VASP☆40Updated last year
- ☆65Updated 4 years ago
- Defect structure-searching employing chemically-guided bond distortions☆110Updated last week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆66Updated last month
- Examples demonstrating how to reproduce the results in the paper.☆65Updated last year
- ☆10Updated 2 years ago
- Python library for the construction of porous materials using topology and building blocks.☆79Updated 6 months ago
- ☆111Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆131Updated 2 weeks ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆76Updated 2 weeks ago
- Python tools to handle CP2K output files☆43Updated last week
- Python package to analyse the structural dynamics of perovskites☆47Updated 3 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆61Updated 5 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆44Updated last month
- ☆45Updated 7 years ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆31Updated 6 months ago
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Updated 3 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 8 months ago
- ☆72Updated 2 years ago
- Gromacs to Lammps simulation converter☆86Updated last year
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆160Updated 2 years ago
- A... M... L...☆53Updated 3 years ago
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆81Updated 3 weeks ago