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
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- A repository for implementing graph network models based on atomic structures.☆94Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆110Updated last year
- ☆16Updated 4 months ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆22Updated 2 years ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆20Updated 6 months ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆117Updated 6 months ago
- A text-guided diffusion model for crystal structure generation☆64Updated 4 months ago
- ☆48Updated 3 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆54Updated 2 years ago
- Official implementation of DeepDFT model☆84Updated 2 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 10 months ago
- ☆20Updated 11 months ago
- 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
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆25Updated 11 months ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti…☆27Updated 5 years ago
- ☆34Updated 3 years ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆123Updated 4 months ago
- FTCP code☆35Updated last year
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- ☆61Updated 4 years ago
- AI for crystal materials☆84Updated 2 weeks ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago