The largest KG for material science
☆29Nov 14, 2024Updated last year
Alternatives and similar repositories for Material-Knowledge-Graph
Users that are interested in Material-Knowledge-Graph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A knowledge graph unifying computational and experimental data for MOFs☆44Nov 14, 2025Updated 4 months ago
- ☆18Jul 29, 2024Updated last year
- ☆39Oct 10, 2025Updated 5 months ago
- Fully automated end to end framework to extract data from complex charts and other figures in scientific literature.☆20Oct 30, 2022Updated 3 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆51Oct 21, 2025Updated 5 months ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- [LREC-COLING 2024] Multi-perspective Improvement of Knowledge Graph Completion with Large Language Models☆54May 13, 2025Updated 10 months ago
- Mastery of a Three-Word Language for Knowledge Graph Completion☆31Feb 24, 2025Updated last year
- KGFM☆44Mar 30, 2025Updated 11 months ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆17Dec 26, 2024Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆154Mar 16, 2026Updated last week
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆23May 9, 2025Updated 10 months ago
- Polymer property prediction with GNNs and deep set learning.☆30May 31, 2023Updated 2 years ago
- Flow matching for accelerated simulation of atomic transport☆63Oct 17, 2025Updated 5 months ago
- ☆14Dec 6, 2023Updated 2 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated 2 weeks ago
- Web-Scarping tool for downloading the content of the following publishers: Elsevier, RSC, Web of Science, Springer Nature , Wiley.☆37Jun 24, 2025Updated 8 months ago
- SciQAG is a novel framework for automatically generating high-quality science question-answer pairs from a large corpus of scientific lit…☆33Mar 24, 2025Updated 11 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Sep 4, 2024Updated last year
- Molecular generation using diffusion models and autoregressive transformer models☆18Jan 7, 2026Updated 2 months ago
- ☆16Feb 3, 2025Updated last year
- ☆17May 29, 2024Updated last year
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 13, 2024Updated 2 years ago
- ☆13Oct 9, 2025Updated 5 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- DistMesh - A Simple Mesh Generator in MATLAB☆15Apr 29, 2013Updated 12 years ago
- ☆14Apr 15, 2024Updated last year
- ☆16Sep 30, 2024Updated last year
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆18Jun 1, 2024Updated last year
- [ICLR 2025] <MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses>☆51Nov 12, 2025Updated 4 months ago
- A Python library for prediction of polymeric material properties.☆23May 6, 2022Updated 3 years ago
- ☆29Oct 17, 2024Updated last year
- 🧰 数据科学科研工具箱☆13Mar 22, 2025Updated last year
- ☆23Apr 15, 2025Updated 11 months ago
- Reinforcement Learning for Improving Chemical Reaction Performance☆14Aug 26, 2025Updated 6 months ago
- ☆12Sep 24, 2024Updated last year
- A Generative Diffusion Model for Crystal Symmetry☆22Updated this week
- Tools for implementing and consuming OPTIMADE APIs in Python☆89Mar 9, 2026Updated 2 weeks ago