Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
☆87Jul 14, 2025Updated 11 months ago
Alternatives and similar repositories for LangSim
Users that are interested in LangSim are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [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
- ☆16Oct 1, 2023Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆151Jun 1, 2026Updated last week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated 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.
- Multimodal aid for mining of chemical reactions from PDFs☆39Jun 25, 2025Updated 11 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆101Updated this week
- atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material S…☆13May 1, 2026Updated last month
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- Library for Crystal Symmetry in Rust☆75Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆94Jun 5, 2026Updated last week
- ☆11Sep 16, 2024Updated last year
- Text-based modeling of materials.☆35Mar 12, 2026Updated 3 months ago
- Materials science with Python at the atomic-scale☆236Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 6 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- ☆41May 8, 2026Updated last month
- Computing representations for atomistic machine learning☆82Jun 2, 2026Updated last week
- atomate2 is a library of computational materials science workflows☆318Updated this week
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆107Jul 16, 2024Updated last year
- ☆17Sep 17, 2025Updated 8 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆60Apr 1, 2026Updated 2 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 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.
- Tools for geometric learning☆12Sep 26, 2025Updated 8 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Apr 29, 2026Updated last month
- Grand canonical optimization of grain boundary phases.☆33Apr 12, 2026Updated 2 months ago
- Foundation Model for Materials - FM4M☆304May 13, 2026Updated last month
- ☆26Aug 20, 2025Updated 9 months ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- ☆131May 3, 2026Updated last month
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆73Nov 25, 2025Updated 6 months ago
- Probing the limitations of multimodal language models for chemistry and materials research☆24Feb 1, 2026Updated 4 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.
- A toolkit for visualizations in materials informatics.☆315Jun 7, 2026Updated last week
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- A python library for calculating materials properties from the PES☆143Updated this week
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- Parameterisation of Equivariant Properties of Particle Systems☆67Dec 17, 2024Updated last year
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 2 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆32Nov 30, 2024Updated last year