DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
☆31Jan 3, 2025Updated last year
Alternatives and similar repositories for DenseGNN
Users that are interested in DenseGNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Minimal implementation of graph attention student model architecture☆12Jan 22, 2026Updated 2 months ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach☆21Dec 11, 2020Updated 5 years ago
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- Graph convolutions in Keras with TensorFlow, PyTorch or Jax.☆118Jan 8, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆306Aug 25, 2025Updated 7 months ago
- Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analys…☆15Jul 31, 2024Updated last year
- Graph deep learning library for materials☆523Updated this week
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆17Nov 7, 2024Updated last year
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆47Jan 21, 2026Updated 2 months ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆522Mar 18, 2026Updated last week
- Crystal Graph Convolutional Neural Networks tutorial☆31Mar 27, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Dec 17, 2024Updated last year
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- ☆22Jul 3, 2025Updated 8 months ago
- ☆28Apr 3, 2025Updated 11 months ago
- Link molecular structures of chemicals (in form of topological fingerprints) with multiple targets☆11Dec 19, 2024Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆41Oct 22, 2025Updated 5 months ago
- ☆11Jan 17, 2025Updated last year
- ☆10Sep 24, 2024Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- ☆21Nov 29, 2021Updated 4 years ago
- ML potentials via transfer learning☆26Updated this week
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆13Nov 6, 2012Updated 13 years ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆150May 2, 2025Updated 10 months ago
- High-throughput framework for running molecular simulations for METL☆22Sep 18, 2025Updated 6 months ago
- Collecting a variety of Agent-Ready tool modules☆79Feb 19, 2026Updated last month
- Repo for Machine Learning Models for Renewable Energy Forecasting Research Paper (DOI: 10.1080/09720510.2020.1721636)☆14Jan 9, 2021Updated 5 years ago
- ☆35Aug 13, 2025Updated 7 months ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- ☆12Jan 24, 2024Updated 2 years ago
- Grand canonical optimization of grain boundary phases.☆32May 9, 2025Updated 10 months ago
- ☆12Feb 14, 2024Updated 2 years ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆26Mar 6, 2026Updated 2 weeks ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated last year
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆27Nov 21, 2022Updated 3 years ago
- ☆12May 18, 2024Updated last year