Datasets for benchmarking machine learning models for predicting Li-ion migration
☆32Jun 5, 2025Updated 10 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☆24Aug 21, 2025Updated 7 months ago
- ☆16May 22, 2025Updated 10 months 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☆53Apr 6, 2026Updated last week
- A tool for constructing accurate machine learning force fields in moir\'e systems☆16Feb 12, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆21Oct 8, 2025Updated 6 months ago
- Flow matching for accelerated simulation of atomic transport☆64Oct 17, 2025Updated 5 months 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
- ☆16Apr 30, 2025Updated 11 months ago
- ☆48Updated this week
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆80Apr 8, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆12Jun 26, 2023Updated 2 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- rule-based virtual polymer library generator☆50Dec 23, 2025Updated 3 months ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated last year
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated last year
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆17Jun 12, 2025Updated 10 months ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- A python library for replica exchange transition interface sampling with infinite swaps☆13Updated this week
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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☆11Nov 8, 2020Updated 5 years ago
- ☆13Sep 14, 2025Updated 7 months ago
- Code repository for TIDMAD: Time series Dataset for Discovering Dark Matter with AI Denoising.☆15Apr 1, 2026Updated 2 weeks ago
- E3WS: Earthquake Early Warning starting from 3 seconds of records on a single station with machine learning☆11Nov 26, 2023Updated 2 years 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☆13Apr 6, 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.
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- A Python library for constructing polymer topologies and coordinates☆19Sep 23, 2025Updated 6 months ago
- Physics-constrained deep learning postprocessing of temperature and humidity☆12May 10, 2023Updated 2 years ago
- Nanoreactor analysis codes (not yet released)☆12Apr 24, 2023Updated 2 years ago
- SE-PINN: Solving the Schrödinger Equation via Physics-Informed Machine Learning☆11Dec 17, 2025Updated 3 months ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 4 months ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Oct 11, 2022Updated 3 years ago