MasterAI-EAM / Material-Knowledge-GraphLinks
The largest KG for material science
☆20Updated 8 months ago
Alternatives and similar repositories for Material-Knowledge-Graph
Users that are interested in Material-Knowledge-Graph are comparing it to the libraries listed below
Sorting:
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Updated 2 years ago
- Text-based modeling of materials.☆32Updated 7 months ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆51Updated 8 months ago
- A repository for the LLM-Prop implementation☆42Updated last year
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Updated last year
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆76Updated 3 weeks ago
- Large language models to generate stable crystals.☆109Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆35Updated 4 months ago
- ☆16Updated last month
- ☆24Updated 5 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆17Updated 2 months ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆84Updated 9 months ago
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆18Updated last year
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆37Updated 5 months ago
- Heterogeneous relational message passing networks (HermNet)☆15Updated 2 years ago
- Quantifying Pairwise Chemical Similarity for Polymers☆15Updated last year
- ☆32Updated 4 years ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Molecular generation using diffusion models and autoregressive transformer models☆13Updated last year
- ☆10Updated last month
- Language-interfaced fine-tuning for chemistry☆42Updated last year
- ☆46Updated 7 months ago
- Materials Transformers☆25Updated 2 years ago
- ☆15Updated 9 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆85Updated 2 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆52Updated last year
- ☆17Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆42Updated 2 years ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- Deep learning for molecules quantum chemistry properties prediction☆41Updated 4 years ago