A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
☆55Nov 27, 2025Updated 5 months ago
Alternatives and similar repositories for OBELiX
Users that are interested in OBELiX are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆18Apr 10, 2026Updated last month
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- Python toolkit for molecular dynamics analysis☆35Apr 29, 2026Updated last week
- Structural constraint integration in a generative model for the discovery of quantum materials☆31Oct 2, 2025Updated 7 months ago
- Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble☆14Jul 12, 2024Updated last year
- 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.
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆40Dec 17, 2024Updated last year
- A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…☆24Oct 24, 2023Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated 11 months ago
- Extended XYZ specification and parsers☆25Apr 30, 2026Updated last week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆49Updated this week
- A python library for calculating materials properties from the PES☆140Updated this week
- The Bond valence site energy calculator☆24Aug 21, 2025Updated 8 months ago
- High-throughput calculation framework for VASP☆26Apr 7, 2026Updated last month
- 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.
- Calculate observables from neural network-based VMC (NN-VMC).☆18Apr 16, 2025Updated last year
- ☆25Aug 20, 2025Updated 8 months ago
- ☆30Apr 23, 2026Updated 2 weeks ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- ☆14Apr 9, 2025Updated last year
- ☆16Feb 27, 2020Updated 6 years ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆79May 3, 2026Updated last week
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆183Oct 29, 2024Updated last year
- ☆12Oct 10, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆14May 21, 2024Updated last year
- Suite for Analysis of Molecular Simulations☆11Mar 31, 2026Updated last month
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Course: Diffusion Generative AI for Computer Vision and Science☆59Dec 1, 2024Updated last year
- Interpretable learning for electrode-voltage prediction and design of multivalent metal-ion batteries☆11Jan 2, 2022Updated 4 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- MODNet: a framework for machine learning materials properties☆107May 2, 2025Updated last year
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆75Apr 5, 2026Updated last month
- A toolkit for visualizations in materials informatics.☆313Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Foundation Model for Crystal Structure Generation and Prediction☆143Mar 31, 2026Updated last month
- Code to reproduce experiments from:☆10Dec 11, 2020Updated 5 years ago
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆36May 2, 2026Updated last week
- Code For Volterra Neural Networks☆13Dec 17, 2023Updated 2 years ago
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- Datasets for benchmarking machine learning models for predicting Li-ion migration☆32Jun 5, 2025Updated 11 months ago
- ☆22Feb 10, 2025Updated last year