Wang-Group / Machine-learning-for-Cu-CO2RRLinks
This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst for Selective Electrochemical CO2 Reduction" from XMU Wang-group.
☆7Updated 2 years ago
Alternatives and similar repositories for Machine-learning-for-Cu-CO2RR
Users that are interested in Machine-learning-for-Cu-CO2RR are comparing it to the libraries listed below
Sorting:
- ☆53Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆18Updated 3 years ago
- Heat capacity predictor for porous materials☆12Updated 11 months ago
- Python library for the construction of porous materials using topology and building blocks.☆67Updated last week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 9 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆55Updated 5 months ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- A collection of tools and databases for atomistic machine learning☆48Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆52Updated last year
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆30Updated 2 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆37Updated last year
- ☆30Updated 3 years ago
- ☆39Updated last week
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated last month
- ☆21Updated last month
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated 3 weeks ago
- FTCP code☆34Updated last year
- Mirror of http://zeoplusplus.org/☆9Updated 7 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆33Updated 4 months ago
- MatDeepLearn for DOS prediction☆24Updated 2 years ago
- CmuMD implementation for PLUMED2☆16Updated last year
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 2 years ago
- ☆43Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆53Updated 2 weeks ago
- ☆16Updated 3 years ago
- Object-oriented refactoring of the YARP package☆13Updated 2 weeks ago
- ☆27Updated last year
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆10Updated last year