kdmsit / crysgnnLinks
CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)
☆29Updated 9 months ago
Alternatives and similar repositories for crysgnn
Users that are interested in crysgnn are comparing it to the libraries listed below
Sorting:
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆107Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆102Updated last week
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆18Updated 2 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆78Updated last year
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆65Updated 8 months ago
- Large Language Model for Catalyst Property Prediction☆26Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆35Updated last week
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- Materials Transformers☆25Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆113Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆133Updated last month
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆21Updated 6 months ago
- ☆19Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆56Updated 2 years ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆86Updated last year
- Official implementation of DeepDFT model☆84Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆285Updated 2 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Zeolite GAN☆24Updated 5 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆15Updated 5 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆125Updated last week
- ☆26Updated last year
- FTCP code☆35Updated 2 years ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆18Updated last year
- ☆10Updated 4 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆71Updated 2 months ago