MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property prediction, and LLM-driven reasoning.
☆18Dec 11, 2025Updated 6 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:
- ☆12Sep 1, 2025Updated 9 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆30Updated this week
- Generate symmetrized force constants☆28Jun 3, 2026Updated last week
- ☆11Aug 30, 2024Updated last year
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 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.
- Phonons from ML force fields☆25Mar 22, 2026Updated 2 months ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- Jupyter notebook to calculate SQ limit☆10Jan 11, 2018Updated 8 years ago
- Flow matching for accelerated simulation of atomic transport☆66Oct 17, 2025Updated 7 months ago
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs☆63May 27, 2026Updated 2 weeks ago
- A text-guided diffusion model for crystal structure generation☆79May 30, 2025Updated last year
- ☆21Apr 9, 2024Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 7 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Learning energy decompositions for partial inference in GFlowNets☆16Jun 4, 2024Updated 2 years ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Graph generation with K2-trees (ICLR 2024)☆12Mar 19, 2024Updated 2 years ago
- Generator of polynomial machine learning potentials☆21Jun 5, 2026Updated last week
- ☆20Nov 28, 2022Updated 3 years ago
- [EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic mate…☆98Nov 11, 2025Updated 7 months 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
- ☆17May 27, 2026Updated 2 weeks ago
- ☆13Sep 25, 2022Updated 3 years ago
- 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.
- MACE foundation models (MP, OMAT, mh-1)☆266May 3, 2026Updated last month
- URL links to phonondb data☆38May 20, 2026Updated 3 weeks ago
- ☆11Feb 1, 2025Updated last year
- Guidelines on using Weights and Biases logging for deep learning applications on NERSC machines☆13Aug 7, 2023Updated 2 years ago
- A Simple and Scalable Representation for Graph Generation (ICLR 2024)☆21Mar 19, 2024Updated 2 years ago
- aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to efficiently sample…☆23Nov 22, 2025Updated 6 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆31Oct 2, 2025Updated 8 months ago
- Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…☆28Sep 19, 2024Updated last year
- ☆15Dec 19, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆12Feb 2, 2024Updated 2 years ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 3 months ago
- 多模态大模型仿真+实物代码展示☆25May 3, 2026Updated last month
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 3 months ago
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- Different utilities used by our group☆36Feb 6, 2026Updated 4 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago