good4488 / ZeoGANLinks
Zeolite GAN
☆22Updated 5 years ago
Alternatives and similar repositories for ZeoGAN
Users that are interested in ZeoGAN are comparing it to the libraries listed below
Sorting:
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆108Updated last year
- ☆26Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆119Updated 7 months ago
- Crystal Edge Graph Attention Neural Network☆22Updated last year
- FTCP code☆35Updated last year
- Official implementation of DeepDFT model☆82Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆115Updated 4 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 8 months ago
- Predict materials properties using only the composition information!☆108Updated 2 years ago
- Python library for the construction of porous materials using topology and building blocks.☆71Updated 2 months ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆118Updated 3 months ago
- ☆60Updated 4 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated last month
- Scalable graph neural networks for materials property prediction☆62Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆23Updated 7 months ago
- A text-guided diffusion model for crystal structure generation☆62Updated 2 months ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆21Updated 2 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- A repository for implementing graph network models based on atomic structures.☆91Updated last year
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- ☆16Updated 3 months ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆50Updated 2 years ago