trachote / dp-cdvaeLinks
Diffusion Probabilistic CDVAE
☆26Updated 2 years ago
Alternatives and similar repositories for dp-cdvae
Users that are interested in dp-cdvae are comparing it to the libraries listed below
Sorting:
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆60Updated 2 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆27Updated last year
- ☆11Updated last year
- FTCP code☆36Updated 2 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆74Updated 8 months ago
- ☆26Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆143Updated 9 months ago
- A repository for implementing graph network models based on atomic structures.☆103Updated last year
- ☆11Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Official implementation of DeepDFT model☆87Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Updated last year
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆70Updated 11 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆42Updated 2 months ago
- AI for crystal materials☆107Updated 2 weeks ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆112Updated 3 months ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆38Updated 3 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14Updated 8 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆147Updated 3 months ago
- ☆24Updated last year
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆27Updated 9 months ago
- An object-aware diffusion model for generating chemical reactions☆143Updated last year
- ☆20Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆138Updated last week
- Scalable graph neural networks for materials property prediction☆63Updated 2 years ago
- train and use graph-based ML models of potential energy surfaces☆119Updated last month
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆39Updated last year