omron-sinicx / crystalformerLinks
The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)
☆19Updated 2 months ago
Alternatives and similar repositories for crystalformer
Users that are interested in crystalformer are comparing it to the libraries listed below
Sorting:
- Text-based modeling of materials.☆32Updated 6 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆34Updated 5 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆35Updated 3 months ago
- ☆12Updated last year
- Coarse-grained Diffusion for Metal-Organic Framework Design☆42Updated 11 months ago
- A repository for the LLM-Prop implementation☆36Updated last year
- ☆30Updated 6 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆39Updated last year
- AI for crystal materials☆54Updated this week
- A Continuous Action Space Tree search for INverse desiGn (CASTING)☆13Updated last year
- ☆10Updated last week
- ☆27Updated last year
- Deep learning model for predicting adsorption isotherms of MOFs☆14Updated 2 years ago
- Higher-order equivariant neural networks for charge density prediction in materials☆57Updated 3 months ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆14Updated 2 months ago
- ☆24Updated last month
- ☆10Updated 8 months ago
- Code and data used to create and evaluate LLM4Mat-Bench☆16Updated 7 months ago
- Graph neural network potential with charge transfer☆35Updated 3 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆50Updated 2 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆81Updated 3 weeks ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆94Updated 10 months ago
- ☆15Updated 7 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆56Updated 7 months ago
- ☆13Updated 5 months ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- ☆16Updated 2 weeks ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆27Updated last month
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆22Updated 5 months ago