zhongpc / drxnetLinks
A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
☆17Updated last year
Alternatives and similar repositories for drxnet
Users that are interested in drxnet are comparing it to the libraries listed below
Sorting:
- ☆28Updated 2 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Predict materials properties using only the composition information!☆112Updated 2 years ago
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- A collection of tools and databases for atomistic machine learning☆48Updated 4 years ago
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆28Updated 5 years ago
- Metadynamics code on the G-space.☆14Updated 3 years ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆29Updated 7 years ago
- ☆26Updated last year
- ☆64Updated 4 years ago
- Official implementation of DeepDFT model☆84Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 3 months ago
- Porosity analysis tool☆18Updated 4 years ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- ☆16Updated 3 years ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 7 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆86Updated last month
- The Wren sits on its Roost in the Aviary.☆60Updated 3 weeks ago
- ☆34Updated 3 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆49Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- Generating Deep Potential with Python☆70Updated this week
- ☆20Updated 11 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆24Updated 2 years ago
- add the influence of external field to REANN model☆25Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆31Updated last week