ixsluo / cond-cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
☆19Updated 6 months ago
Alternatives and similar repositories for cond-cdvae:
Users that are interested in cond-cdvae are comparing it to the libraries listed below
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆39Updated 4 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆20Updated 8 months ago
- Diffusion Probabilistic CDVAE☆23Updated last year
- ☆24Updated 8 months ago
- ☆27Updated 5 months ago
- Source code for generating materials with 20 space groups using PGCGM☆32Updated 2 years ago
- ☆10Updated 3 months ago
- ☆10Updated last year
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆36Updated 10 months ago
- FTCP code☆33Updated last year
- Multi-modal conditioning diffusion model for MOFs generation☆27Updated 2 months ago
- A text-guided diffusion model for crystal structure generation☆37Updated 2 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆112Updated last week
- A repository for implementing graph network models based on atomic structures.☆76Updated 8 months ago
- ☆12Updated last year
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆18Updated 2 years ago
- Official implementation of DeepDFT model☆75Updated 2 years ago
- ☆10Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆33Updated 4 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆13Updated 3 weeks ago
- Original implementation of CSPML☆24Updated 4 months ago
- ☆33Updated 9 months ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆19Updated 7 months ago
- AI for crystal materials☆37Updated last week
- Deep learning model for predicting adsorption isotherms of MOFs☆14Updated 2 years ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆47Updated last year
- Zeolite GAN☆22Updated 4 years ago
- ☆28Updated 3 years ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆40Updated this week