danieleongari / CURATED-COFsLinks
Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
☆38Updated last year
Alternatives and similar repositories for CURATED-COFs
Users that are interested in CURATED-COFs are comparing it to the libraries listed below
Sorting:
- ☆54Updated 4 years ago
- ☆21Updated 2 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated last month
- A flexible workflow for on-the-fly learning of interatomic potential models.☆29Updated last week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆32Updated 3 months ago
- ☆19Updated last week
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated 2 weeks ago
- A collection of tools I created related to the molecular simulations package RASPA.☆10Updated last year
- Zeolite Simulation Environment☆21Updated last year
- High-throughput DFT of MOFs using ASE/VASP☆28Updated 2 years ago
- ☆67Updated 2 years ago
- zeo++ fork of the LSMO☆15Updated 2 years ago
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆14Updated 2 months ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Object-oriented refactoring of the YARP package☆14Updated 2 weeks ago
- ☆34Updated 5 months ago
- Python library for the construction of porous materials using topology and building blocks.☆68Updated 3 weeks ago
- Basic sanity checks for MOFs.☆29Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆31Updated 2 months ago
- LASP python library including scripts and auto-NNtrain workflow☆19Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 months ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated this week
- Heat capacity predictor for porous materials☆12Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- ☆29Updated last year
- An interactive viewer☆14Updated 5 years ago