Datasets for benchmarking machine learning models for predicting Li-ion migration
☆31Jun 5, 2025Updated 9 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
- ☆14May 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☆53Mar 2, 2026Updated 3 weeks ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆16Feb 12, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆19Oct 8, 2025Updated 5 months ago
- Flow matching for accelerated simulation of atomic transport☆63Oct 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
- ☆45Updated this week
- eco2AI is a python library which accumulates statistics about power consumption and CO2 emission during running code.☆270Mar 10, 2025Updated last year
- ☆16Apr 30, 2025Updated 10 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆78Updated this week
- ☆12Jun 26, 2023Updated 2 years ago
- ☆15Apr 8, 2023Updated 2 years ago
- rule-based virtual polymer library generator☆48Dec 23, 2025Updated 3 months ago
- GENA-LM is a transformer masked language model trained on human DNA sequence.☆221Mar 16, 2026Updated last week
- 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
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆17Jun 12, 2025Updated 9 months ago
- A python library for replica exchange transition interface sampling with infinite swaps☆13Mar 18, 2026Updated last week
- 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
- Code repository for TIDMAD: Time series Dataset for Discovering Dark Matter with AI Denoising.☆15Mar 4, 2026Updated 3 weeks ago
- E3WS: Earthquake Early Warning starting from 3 seconds of records on a single station with machine learning☆10Nov 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
- 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.
- graph neural network for neutrino physics event reconstruction☆13Mar 18, 2026Updated last week
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- A Python library for constructing polymer topologies and coordinates☆18Sep 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 3 months ago