hyunp2 / ghp_mofLinks
☆24Updated last year
Alternatives and similar repositories for ghp_mof
Users that are interested in ghp_mof are comparing it to the libraries listed below
Sorting:
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- 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
- Official implementation of DeepDFT model☆85Updated 2 years ago
- AI for crystal materials☆92Updated this week
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆36Updated 3 weeks ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆51Updated 5 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆24Updated 7 months ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆79Updated 2 years ago
- An object-aware diffusion model for generating chemical reactions☆140Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆133Updated 7 months ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆199Updated last week
- MACE foundation models (MP, OMAT, Matpes)☆164Updated last week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆25Updated last year
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆126Updated last week
- Deep learning model for predicting adsorption isotherms of MOFs☆15Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆68Updated 5 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆56Updated 2 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆38Updated this week
- ☆64Updated 4 years ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆25Updated 10 months ago
- ☆14Updated 2 years ago
- Matbench: Benchmarks for materials science property prediction☆174Updated last year
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆99Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆79Updated 5 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆108Updated last year
- A collection of Neural Network Models for chemistry☆172Updated last month
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆98Updated 6 months ago