ixsluo / CrystalFlowLinks
☆26Updated 2 months ago
Alternatives and similar repositories for CrystalFlow
Users that are interested in CrystalFlow are comparing it to the libraries listed below
Sorting:
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆56Updated last month
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Updated last year
- AI for crystal materials☆101Updated this week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆25Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆37Updated 2 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆140Updated 8 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆130Updated 2 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆27Updated 8 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆143Updated 2 months ago
- Official implementation of DeepDFT model☆85Updated 2 years ago
- A text-guided diffusion model for crystal structure generation☆71Updated 6 months ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆28Updated 11 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 3 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆59Updated 2 years ago
- ☆33Updated last year
- ☆26Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆38Updated last year
- Multi-modal conditioning diffusion model for MOFs generation☆40Updated last month
- ☆15Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- A repository for implementing graph network models based on atomic structures.☆99Updated last year
- Diffusion Probabilistic CDVAE☆25Updated 2 years ago
- ☆20Updated last month
- Heat capacity predictor for porous materials☆13Updated last year
- ☆10Updated 11 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆69Updated 10 months ago
- FTCP code☆35Updated 2 years ago
- ☆24Updated last year