kdmsit / crysgnnLinks
CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)
☆28Updated 4 months ago
Alternatives and similar repositories for crysgnn
Users that are interested in crysgnn are comparing it to the libraries listed below
Sorting:
- Scalable graph neural networks for materials property prediction☆62Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆95Updated last week
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆96Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- ☆30Updated 6 months ago
- Materials Transformers☆25Updated 2 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆18Updated last year
- Official implementation of DeepDFT model☆77Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆15Updated last month
- FTCP code☆34Updated last year
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆67Updated last year
- Higher-order equivariant neural networks for charge density prediction in materials☆57Updated 3 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- ☆24Updated 9 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆41Updated 5 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w