YKQ98 / MatformerLinks
Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
☆102Updated last year
Alternatives and similar repositories for Matformer
Users that are interested in Matformer are comparing it to the libraries listed below
Sorting:
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆99Updated 3 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated 10 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆38Updated 6 months ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- ☆59Updated 8 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆123Updated 4 months ago
- Higher-order equivariant neural networks for charge density prediction in materials☆60Updated 6 months ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆275Updated this week
- A Large Language Model of the CIF format for Crystal Structure Generation☆119Updated 7 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆46Updated 2 months ago
- Large language models to generate stable crystals.☆111Updated last year
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- A repository for implementing graph network models based on atomic structures.☆91Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated last month
- ☆20Updated last month
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆115Updated 5 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- FTCP code☆35Updated last year
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 10 months ago
- A repository for the LLM-Prop implementation☆46Updated last year
- ☆28Updated 3 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆24Updated 10 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆52Updated 5 months ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆28Updated 7 months ago
- Official implementation of DeepDFT model☆82Updated 2 years ago
- Matbench: Benchmarks for materials science property prediction☆164Updated last year
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆210Updated 2 years ago
- ☆19Updated 2 years ago
- AI for crystal materials☆75Updated last week