ZhixunLEE / Awesome-AI-for-Materials-GenerationLinks
[arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
☆27Updated 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:
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆21Updated last year
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆21Updated 11 months ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆86Updated this week
- ☆24Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- ☆20Updated last month
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆38Updated last year
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆62Updated last year
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆47Updated 8 months ago
- ☆17Updated last year
- A curated list of papers related to molecular diffusion models.☆51Updated last month
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆28Updated 2 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆80Updated 2 months ago
- Code for GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts☆16Updated 7 months ago
- ☆36Updated last year
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆30Updated last year
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆101Updated last year
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆21Updated 9 months ago
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆155Updated last year
- ☆47Updated last year
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- Large language models to generate stable crystals.☆110Updated last year
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆9Updated last month
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- Repository for Text2Mol: Cross-Modal Molecular Retrieval with Natural Language Queries☆46Updated 4 months ago
- ☆129Updated last month
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆45Updated 4 months ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆123Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆98Updated 2 months ago