A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities Evaluated with Machine Learning"
☆22Oct 24, 2023Updated 2 years ago
Alternatives and similar repositories for LiIonML
Users that are interested in LiIonML are comparing it to the libraries listed below
Sorting:
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆13Nov 6, 2012Updated 13 years ago
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 7 years ago
- Supervised Regression using SVR and Neural Networks for Early Prediction of End-of-Life in Lithium-ion Batteries☆11Dec 24, 2023Updated 2 years ago
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆18May 31, 2022Updated 3 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- An artificial neural network (ANN) based method is developed for achieving more accurate remaining useful life prediction of Lithium Ion …☆16Sep 19, 2022Updated 3 years ago
- Back of the battery calculator with Intercalation Station☆20Jun 20, 2023Updated 2 years ago
- Graphic user interface (GUI) for the battery database.☆16Feb 10, 2023Updated 3 years ago
- ☆15Aug 13, 2021Updated 4 years ago
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15May 30, 2022Updated 3 years ago
- Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.☆23Jul 29, 2024Updated last year
- Implementation for data driven prediction of battery cycle life before capacity degradation☆14Apr 16, 2021Updated 4 years ago
- ☆31Apr 15, 2021Updated 4 years ago
- BatteryDataExtractor: battery-aware text-mining software embedded with BERT models.☆20Apr 5, 2023Updated 2 years ago
- Rul prediction of lithium-ion batteries based on MMMe model,Details can be found in the paper “A MLP-Mixer and Mixture of Expert Model fo…☆25May 29, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Nov 16, 2022Updated 3 years ago
- PCoE Li-ion Battery Data Modeling☆22Mar 29, 2023Updated 2 years ago
- This repository contains much of the data, code, and visualizations associated with this manuscript:☆110Feb 19, 2020Updated 6 years ago
- Machine Learning pipeline to predict the Remaining Useful Life (RUL) of Li-ion batteries for EVs☆30Dec 21, 2022Updated 3 years ago
- Life cycle prediction model for batteries☆27Mar 4, 2020Updated 6 years ago
- Battery--Cantera: Modeling fundamental physical chemistry in batteries using Cantera.☆25Feb 4, 2025Updated last year
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆153Nov 12, 2025Updated 3 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Feb 9, 2024Updated 2 years ago
- BatteryBERT: A Pre-trained Language Model for Battery Database Enhancement☆35Sep 6, 2022Updated 3 years ago
- [AAAI 2026] Official implementation of "Time Series Forecasting via Direct Per-Step Probability Distribution Modeling"☆32Dec 10, 2025Updated 2 months ago
- Code for Remaining Useful Life Prediction of Lithium-ion Batteries using Spatio-temporal Multimodal Attention Networks☆30May 31, 2024Updated last year
- a python package for simulation☆26Dec 9, 2024Updated last year
- LiionDB is an interactive database of DFN-type battery model parameters☆35Jan 22, 2024Updated 2 years ago
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget and [arXiv'26] Phonon fine-tuning (PFT)☆68Updated this week
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Aug 9, 2022Updated 3 years ago
- Data and code for the paper "Ultra-early prediction of lithium-ion battery performance using mechanism and data-driven fusion model"☆31Apr 20, 2023Updated 2 years ago
- Moment Invariants Local Atomic Descriptor☆34Aug 20, 2024Updated last year
- The understanding of the aging mechanism is crucial to predict the state-of-health of lithium-ion batteries (LIBs), a LIBs is developed t…☆28Nov 2, 2019Updated 6 years ago
- A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes☆50Nov 27, 2025Updated 3 months ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆15Feb 12, 2026Updated 3 weeks ago
- Based on the mHC architecture proposed by deepseek, the residual links of the existing iTransformer are replaced and updated to obtain a …☆28Feb 4, 2026Updated last month
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago