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
☆98Updated 11 months ago
Alternatives and similar repositories for matchem-llm
Users that are interested in matchem-llm are comparing it to the libraries listed below
Sorting:
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆76Updated 2 weeks ago
- train and use graph-based ML models of potential energy surfaces☆99Updated 2 weeks ago
- a curated list of resources for everyone interested in learning about digital chemistry☆25Updated last month
- ☆180Updated last week
- A system for rapid identification and analysis of metal-organic frameworks☆57Updated 7 months ago
- ☆25Updated 11 months ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆63Updated 8 months ago
- A text-guided diffusion model for crystal structure generation☆62Updated last month
- A benchmark dataset for polymer informatics.☆70Updated 4 years ago
- ☆46Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆114Updated 3 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 4 months ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆26Updated 8 months ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆49Updated last month
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆30Updated 10 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆112Updated 6 months ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆105Updated last week
- ☆26Updated last year
- ☆59Updated last month
- MACE-OFF23 models☆40Updated 5 months ago
- Language-interfaced fine-tuning for chemistry☆42Updated last year
- rule-based virtual polymer library generator☆41Updated 2 weeks ago
- A package for all physics based/related models☆52Updated 10 months ago
- ☆50Updated 10 months ago
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆34Updated 10 months ago
- ☆10Updated last month
- Higher-order equivariant neural networks for charge density prediction in materials☆59Updated 4 months ago
- AI for crystal materials☆71Updated this week
- An object-aware diffusion model for generating chemical reactions☆132Updated last year