Foundation Model for Materials - FM4M
☆310May 13, 2026Updated 2 months ago
Alternatives and similar repositories for materials
Users that are interested in materials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Chemist AI Agent for Rational Inverse Design of Materials☆45May 13, 2026Updated 2 months ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆261Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆105Jul 2, 2026Updated 3 weeks ago
- ORB forcefield models from Orbital Materials☆606Jul 9, 2026Updated 2 weeks ago
- ☆26Aug 20, 2025Updated 11 months 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.
- Accelerate 2024 Workshop on Bayesian Optimization Recipes With BayBE☆10Aug 6, 2024Updated last year
- Library for Crystal Symmetry in Rust☆76Updated this week
- Torch-native, batchable, atomistic simulations.☆478Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 3 weeks ago
- train and use graph-based ML models of potential energy surfaces☆127Jul 13, 2026Updated last week
- A toolkit for visualizations in materials informatics.☆320Jul 11, 2026Updated last week
- ☆361Jun 30, 2026Updated 3 weeks ago
- A python library for calculating materials properties from the PES☆148Updated this week
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆312Apr 13, 2026Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆97Sep 20, 2025Updated 10 months ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆576Jun 17, 2026Updated last month
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Graph deep learning library for materials☆565Updated this week
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆47Jul 15, 2026Updated last week
- [EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic mate…☆100Nov 11, 2025Updated 8 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆106Jan 28, 2026Updated 5 months ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆89Jul 14, 2025Updated last year
- 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.
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 7 months ago
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆52Jun 30, 2026Updated 3 weeks ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)☆137Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆153Updated this week
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Tools for machine learnt interatomic potentials☆49Updated this week
- Pymatgen Core☆21Updated this week
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 3 weeks ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆394Feb 19, 2026Updated 5 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆102Jul 13, 2026Updated last week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆240Jul 16, 2026Updated last week