zhongpc / drxnetLinks
A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
☆15Updated 11 months ago
Alternatives and similar repositories for drxnet
Users that are interested in drxnet are comparing it to the libraries listed below
Sorting:
- ☆18Updated last week
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆31Updated 6 months ago
- MatDeepLearn for DOS prediction☆24Updated 2 years ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆54Updated last year
- Crystal Graph Convolutional Neural Networks tutorial☆27Updated 2 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- ☆44Updated 8 months ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48Updated 2 years ago
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- A python library for calculating materials properties from the PES☆95Updated this week
- ☆26Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Automatic generation of crystal structure descriptions.☆121Updated this week
- ☆54Updated 4 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆52Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆58Updated 2 weeks ago
- ☆49Updated 2 months ago
- ☆67Updated 2 years ago
- ☆41Updated 6 years ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆102Updated last month
- ☆16Updated 3 years ago
- ☆80Updated last week
- A foundational potential energy dataset for materials☆37Updated 3 weeks ago
- Predict materials properties using only the composition information!☆103Updated 2 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆61Updated 2 years ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- ☆27Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated last year
- UF3: a python library for generating ultra-fast interatomic potentials☆68Updated 2 weeks ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago