ZhixunLEE / Awesome-AI-for-Materials-GenerationLinks
[arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
☆35Updated last month
Alternatives and similar repositories for Awesome-AI-for-Materials-Generation
Users that are interested in Awesome-AI-for-Materials-Generation are comparing it to the libraries listed below
Sorting:
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Updated 2 years ago
- ☆20Updated 5 months ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Updated 3 months ago
- ☆17Updated last year
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆28Updated last year
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Updated 2 years ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆117Updated 3 weeks ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆98Updated 6 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆108Updated last month
- AI for crystal materials☆96Updated this week
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆23Updated last year
- ☆48Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆129Updated last year
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆43Updated 3 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Updated 5 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆27Updated 2 months ago
- ☆60Updated last year
- ☆24Updated 8 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆39Updated 3 weeks ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆51Updated 5 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆109Updated last year
- This is the code of KA-GNN☆78Updated 2 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- ☆24Updated 3 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆59Updated 2 years ago
- Large language models to generate stable crystals.☆115Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆40Updated 8 months ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆11Updated last year
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15Updated 6 months ago