SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
☆142Mar 3, 2026Updated 4 months ago
Alternatives and similar repositories for SLICES
Users that are interested in SLICES are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Large language models to generate stable crystals.☆122Jun 18, 2024Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆372Aug 14, 2024Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- An LLM system for the ultra-accurate (TPR=98.8%) prediction of the synthesizability and precursors of crystal structures☆43Mar 13, 2025Updated last year
- ☆20Nov 19, 2025Updated 8 months ago
- A text-guided diffusion model for crystal structure generation☆80May 30, 2025Updated last year
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆161Mar 16, 2026Updated 4 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆112Dec 15, 2023Updated 2 years ago
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆332Apr 7, 2025Updated last year
- 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.
- ☆11Jan 17, 2025Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆328Aug 25, 2025Updated 10 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆187Oct 29, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆42Apr 13, 2026Updated 3 months ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆30Aug 20, 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.
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆559Apr 27, 2023Updated 3 years ago
- AI for crystal materials☆150Jul 11, 2026Updated last week
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Text-based modeling of materials.☆36Mar 12, 2026Updated 4 months ago
- A repository for the LLM-Prop implementation☆57Jan 31, 2026Updated 5 months ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- 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.
- Graph deep learning library for materials☆563Updated this week
- Universal Transfer Learning in Porous Materials, including MOFs.☆123May 23, 2026Updated last month
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 5 months ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago