☆19Jul 1, 2023Updated 2 years ago
Alternatives and similar repositories for Crystal-Twins
Users that are interested in Crystal-Twins are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- ☆24Mar 25, 2024Updated 2 years ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆20Jun 28, 2024Updated last year
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated 10 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆63Sep 10, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 3 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆110Dec 15, 2023Updated 2 years ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆25Aug 28, 2025Updated 7 months ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated 2 weeks ago
- Scalable graph neural networks for materials property prediction☆63Feb 2, 2026Updated last month
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Dec 17, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆23Jul 3, 2025Updated 8 months ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- This repo contains the codes to run solvation free energy prediction.☆12May 1, 2022Updated 3 years ago
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated 11 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆29May 19, 2022Updated 3 years ago
- ☆34Jul 14, 2024Updated last year
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆30Jan 15, 2025Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Atom2Vec: a simple way to describe atoms for machine learning☆37Feb 23, 2024Updated 2 years ago
- 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.
- A repository for the LLM-Prop implementation☆53Jan 31, 2026Updated last month
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 3 months ago
- ☆29Apr 17, 2022Updated 3 years ago
- ☆12Feb 14, 2024Updated 2 years ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆61Jun 18, 2024Updated last year
- 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
- This is the repository for the ManufacturingNet project.☆12May 30, 2024Updated last year
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- A handy way to manage data in Slack's next-generation platform datastores☆13Jul 8, 2024Updated last year
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Seeing Under the Cover: A Physics Guided Learning Approach for In-Bed Pose Estimation (MICCAI2019)☆18Jul 17, 2019Updated 6 years ago
- Genarris is a random molecular crystal structure generator.☆30Updated this week
- iDeepV: predicting RBP binding sites using vector representation learned from sequences with a CNN.☆10Jul 16, 2019Updated 6 years ago
- ☆11Nov 19, 2023Updated 2 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆13Nov 15, 2022Updated 3 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).☆21Feb 15, 2026Updated last month