good4488 / ZeoGANLinks
Zeolite GAN
☆24Updated 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
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆36Updated 3 weeks ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- FTCP code☆35Updated 2 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated last month
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆25Updated 10 months ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆25Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆34Updated 3 years ago
- Official implementation of DeepDFT model☆85Updated 2 years ago
- AI for crystal materials☆91Updated last week
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- image-based generative model for inverse design of solid state materials☆41Updated 3 years ago
- ☆65Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆20Updated 4 years ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- ☆29Updated 3 years ago
- ☆26Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Matbench: Benchmarks for materials science property prediction☆174Updated last year
- “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti…☆29Updated 5 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆79Updated 3 years ago
- Original implementation of CSPML☆28Updated 10 months ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆82Updated 3 years ago