Datasets for benchmarking machine learning models for predicting Li-ion migration
☆35Jun 5, 2025Updated 11 months ago
Alternatives and similar repositories for LiTraj
Users that are interested in LiTraj are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Bond valence site energy calculator☆25Aug 21, 2025Updated 9 months ago
- ☆17May 22, 2025Updated last year
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated last year
- A foundational potential energy dataset for materials☆56May 19, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A tool for constructing accurate machine learning force fields in moir\'e systems☆17Feb 12, 2026Updated 3 months ago
- ☆22Oct 8, 2025Updated 7 months ago
- High-throughput simulation for crystalline interfaces☆20May 9, 2026Updated 2 weeks ago
- Flow matching for accelerated simulation of atomic transport☆66Oct 17, 2025Updated 7 months ago
- ☆16Dec 10, 2019Updated 6 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- ☆18Apr 30, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆51Updated this week
- Building MD simulations for polymer electrolyte system☆13Oct 6, 2025Updated 7 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆85May 19, 2026Updated last week
- ☆12Jun 26, 2023Updated 2 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- rule-based virtual polymer library generator☆52Dec 23, 2025Updated 5 months ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆18Jun 12, 2025Updated 11 months ago
- A python library for replica exchange transition interface sampling with infinite swaps☆13Updated this week
- Tutorials for using the pymatgen library☆80May 27, 2025Updated 11 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- Array-based CNNs for automatic earthquake detection and 4D localization☆11Apr 14, 2026Updated last month
- Code repository for TIDMAD: Time series Dataset for Discovering Dark Matter with AI Denoising.☆16Apr 1, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- E3WS: Earthquake Early Warning starting from 3 seconds of records on a single station with machine learning☆13Apr 28, 2026Updated 3 weeks ago
- Deep Learning earthquake early warning system☆12Jul 22, 2024Updated last year
- Implicit neural representations for strong lensing source reconstruction. Code repository associated with https://arxiv.org/abs/2206.1482…☆12Feb 26, 2023Updated 3 years ago
- Generalized Neural Networks for Real-Time Earthquake Early Warning and Monitoring☆10Jun 26, 2024Updated last year
- graph neural network for neutrino physics event reconstruction☆13May 19, 2026Updated last week
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- Physics-constrained deep learning postprocessing of temperature and humidity☆12May 10, 2023Updated 3 years ago