[EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai https://aclanthology.org/2025.emnlp-main.1280/
☆91Nov 11, 2025Updated 4 months ago
Alternatives and similar repositories for llamp
Users that are interested in llamp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆84Jul 14, 2025Updated 8 months ago
- ⚛ download and manipulate atomistic datasets☆48Nov 25, 2025Updated 4 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Updated this week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated 11 months ago
- ☆25Aug 20, 2025Updated 7 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Data Science for Materials - Collection of Open Educational Resources☆16Jun 18, 2025Updated 9 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- ☆47Jun 30, 2025Updated 9 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆102Jul 16, 2024Updated last year
- Computing representations for atomistic machine learning☆79Mar 18, 2026Updated last week
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆215Updated this week
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 2 years ago
- A python library for calculating materials properties from the PES☆133Updated this week
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Compute neighbor lists for atomistic systems☆74Updated this week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆47Updated this week
- Implements core functions for AiiDAlab.☆16Updated this week
- Create atomistic structures with ASE, rdkit and packmol☆24Mar 16, 2026Updated 2 weeks ago
- dataset augmentation for atomistic machine learning☆23Nov 21, 2025Updated 4 months ago
- Phonons from ML force fields☆23Mar 22, 2026Updated last week
- Python package to aid materials design and informatics☆131Mar 17, 2026Updated last week
- atomate2 is a library of computational materials science workflows☆291Mar 23, 2026Updated last week
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆42Feb 11, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Tools for machine learnt interatomic potentials☆44Mar 20, 2026Updated last week
- ☆95May 10, 2025Updated 10 months ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- ☆11Aug 30, 2023Updated 2 years ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆66Nov 13, 2024Updated last year
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆522Mar 18, 2026Updated last week
- ☆12Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 2 months ago
- Foundation Model for Materials - FM4M☆294Jan 24, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆122Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆75Mar 23, 2026Updated last week
- ☆20May 7, 2024Updated last year
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆635Updated this week
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆253Mar 16, 2026Updated 2 weeks ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆234Mar 15, 2026Updated 2 weeks ago