Materials Science Understanding Large Language Model
☆67Jul 3, 2026Updated 3 months ago
Alternatives and similar repositories for llamat
Users that are interested in llamat are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆59Jun 30, 2026Updated 3 months ago
- Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations i…☆15Jul 23, 2026Updated 2 months ago
- A RL framework for Crystal Structure Generation using GRPO☆72May 14, 2026Updated 5 months ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆45Feb 10, 2026Updated 8 months ago
- DFT dataset and machine learning models for high entropy alloys☆33Apr 19, 2024Updated 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.
- Automation of VASP DFT workflows with ASE - application scripts☆23May 24, 2023Updated 3 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated last year
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- ☆395Jul 28, 2026Updated 2 months ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- ☆36Oct 24, 2025Updated 11 months ago
- ☆18Sep 29, 2026Updated 2 weeks ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆60Sep 26, 2026Updated 2 weeks ago
- Probing the limitations of multimodal language models for chemistry and materials research☆25Feb 1, 2026Updated 8 months ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆53Sep 15, 2026Updated 3 weeks ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆33Jun 22, 2026Updated 3 months ago
- Official implementation of MultiMat (Newton 2025)☆24Mar 10, 2025Updated last year
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Dec 17, 2025Updated 9 months ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆56Updated this week
- Benchmarking Large Language Models for Materials Science Tools☆17Sep 18, 2025Updated last year
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Updated this 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 modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆29Oct 5, 2026Updated last week
- Lightweight diffusion transformer for crystalline materials discovery☆27Oct 4, 2026Updated last week
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated 2 months ago
- Large Language Model for Catalyst Property Prediction☆28Mar 8, 2024Updated 2 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- atomate2 is a library of computational materials science workflows☆354Updated this week
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 7 months ago
- [ICML 2026] Materials Discovery Environment: Benchmarking Agentic systems for Closed-Loop Materials Discovery☆27May 8, 2026Updated 5 months ago
- 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.
- The largest KG for material science☆33Aug 14, 2026Updated 2 months ago
- Benchmark for generative models for materials