MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property prediction, and LLM-driven reasoning.
☆19Dec 11, 2025Updated 7 months ago
Alternatives and similar repositories for matagent
Users that are interested in matagent are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Intelligent Scientific Agent for Materials Design☆24Jun 29, 2026Updated 3 weeks ago
- 2025 LLM Hackathon for Applications in Materials and Chemistry☆26Sep 15, 2025Updated 10 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Generator of polynomial machine learning potentials☆22Jul 13, 2026Updated last week
- Automation software for calculating anharmonic phonon properties☆27Jul 3, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated last year
- ☆12Sep 1, 2025Updated 10 months ago
- Code and data used to create and evaluate LLM4Mat-Bench☆35Jan 31, 2026Updated 5 months ago
- A text-guided diffusion model for crystal structure generation☆80May 30, 2025Updated last year
- A Benchmark for Extracting Experiments from Scientific Literature | ICML'26 AI4Science!☆17Updated this week
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- ☆21Sep 19, 2025Updated 10 months ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated last month
- Generate symmetrized force constants☆29Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- A RL framework for Crystal Structure Generation using GRPO☆61May 14, 2026Updated 2 months ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Jun 8, 2026Updated last month
- A generative model for molecular generation via multi-step chemical reactions☆14Jul 24, 2024Updated 2 years ago
- Towards autonomous quantum physics research using LLM agents with access to intelligent tools☆18Feb 23, 2026Updated 5 months ago
- Lightweight diffusion transformer for crystalline materials discovery☆25Jul 14, 2026Updated last week
- ☆22Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 3 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆20Jul 14, 2026Updated last week
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- ☆11Aug 30, 2024Updated last year
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- An automated and interoperable manager for computational chemistry workflows.☆19Updated this week
- ☆15Nov 10, 2025Updated 8 months ago
- AI Agents on 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.
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- Masgent: Materials Simulation Agent☆24May 7, 2026Updated 2 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- Deep-Learning-to-find-Superconductors☆12Jan 13, 2021Updated 5 years ago
- Jupyter notebook to calculate SQ limit☆10Jan 11, 2018Updated 8 years ago
- ☆48Jul 1, 2026Updated 3 weeks ago
- Official Repository of the Optados code☆25Nov 14, 2025Updated 8 months ago