materials-data-facility / matchem-llmLinks
A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
☆99Updated last year
Alternatives and similar repositories for matchem-llm
Users that are interested in matchem-llm are comparing it to the libraries listed below
Sorting:
- train and use graph-based ML models of potential energy surfaces☆112Updated last week
- a curated list of resources for everyone interested in learning about digital chemistry☆30Updated 2 months ago
- A benchmark dataset for polymer informatics.☆79Updated 4 years ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆28Updated 2 months ago
- Chemist AI Agent for Rational Inverse Design of Materials☆40Updated 8 months ago
- ☆27Updated last year
- A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆23Updated 6 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- ☆35Updated 4 months ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆71Updated 4 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated last month
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- ☆45Updated 4 months ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆87Updated last week
- A unified framework for machine learning collective variables for enhanced sampling simulations☆126Updated 2 weeks ago
- Predicting molecular structure from Infrared (IR) Spectra☆25Updated last year
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆83Updated last month
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆64Updated 2 months ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆65Updated 8 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆24Updated 7 months ago
- ☆48Updated 3 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- ☆26Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆56Updated last month
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆65Updated 3 weeks ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Updated last year
- ☆63Updated last week