vertaix / LLM4Mat-BenchLinks
Code and data used to create and evaluate LLM4Mat-Bench
☆15Updated 7 months ago
Alternatives and similar repositories for LLM4Mat-Bench
Users that are interested in LLM4Mat-Bench are comparing it to the libraries listed below
Sorting:
- A repository for the LLM-Prop implementation☆39Updated last year
- Official implementation of DeepDFT model☆79Updated 2 years ago
- DeePMD-kit plugin for various graph neural network models☆47Updated this week
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆45Updated 3 weeks ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆22Updated 5 months ago
- ☆26Updated 2 weeks ago
- Text-based modeling of materials.☆32Updated 7 months ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆31Updated 2 weeks ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆102Updated last month
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆52Updated last year
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆22Updated 8 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆110Updated 3 months ago
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 9 months ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- A repository for implementing graph network models based on atomic structures.☆85Updated 10 months ago
- Space Group Informed Transformer for Crystalline Materials Generation☆105Updated last month
- Chemist AI Agent for Rational Inverse Design of Materials☆31Updated 3 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆95Updated 11 months ago
- MCMC-based algorithm for sampling surface reconstructions☆33Updated 2 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆68Updated 3 months ago
- ☆32Updated 4 years ago
- AI for crystal materials☆58Updated this week
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆26Updated 8 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆43Updated last week
- ☆31Updated 3 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆20Updated 9 months ago
- Heat capacity predictor for porous materials☆12Updated last year
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆71Updated this week
- ☆12Updated 2 years ago
- Predicting molecular structure from Infrared (IR) Spectra☆21Updated last year