hyunp2 / ghp_mof
☆21Updated last year
Alternatives and similar repositories for ghp_mof:
Users that are interested in ghp_mof are comparing it to the libraries listed below
- train and use graph-based ML models of potential energy surfaces☆90Updated last week
- A Large Language Model of the CIF format for Crystal Structure Generation☆99Updated 3 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆98Updated 10 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆53Updated 5 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆13Updated last month
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆41Updated last week
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆18Updated 3 years ago
- ☆24Updated 8 months ago
- Python library for the construction of porous materials using topology and building blocks.☆66Updated 4 months ago
- A text-guided diffusion model for crystal structure generation☆39Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆103Updated last month
- FTCP code☆34Updated last year
- ☆28Updated 5 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆91Updated 9 months ago
- ☆53Updated 4 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆14Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆40Updated 5 months ago
- A repository for implementing graph network models based on atomic structures.☆77Updated 9 months ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆81Updated 4 months ago
- Official implementation of DeepDFT model☆75Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Heat capacity predictor for porous materials☆12Updated 10 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆68Updated last month
- Collection of tutorials to use the MACE machine learning force field.☆46Updated 7 months ago
- Zeolite GAN☆22Updated 4 years ago
- ☆16Updated 9 months ago
- ☆26Updated last year
- Active Learning for Machine Learning Potentials☆55Updated 11 months ago
- MACE foundation models (MP, OMAT, Matpes)☆103Updated last month
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆25Updated 6 months ago