Augmenting Polymer Datasets via Iterative Rearrangement
☆13Jun 30, 2023Updated 3 years ago
Alternatives and similar repositories for da_for_polymers
Users that are interested in da_for_polymers are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Dec 28, 2025Updated 10 months ago
- ☆13May 13, 2022Updated 4 years ago
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 7 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆21Jun 9, 2024Updated 2 years ago
- AI Agents on 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.
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆48Mar 27, 2025Updated last year
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- A benchmark dataset for polymer informatics.☆108May 31, 2021Updated 5 years ago
- ☆38Jul 18, 2025Updated last year
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- ☆30Feb 13, 2025Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- ☆13Feb 4, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- scalable multi-fidelity machine learning☆10Jul 16, 2021Updated 5 years ago
- Data enhancement scheme for addressing the dilemma of small data on machine learning for polymer.☆13Apr 26, 2024Updated 2 years ago
- Config files for my GitHub profile.☆15Oct 28, 2025Updated last year
- ☆33May 14, 2025Updated last year
- ☆25Sep 3, 2024Updated 2 years ago
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆12Oct 18, 2025Updated last year
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆15Dec 2, 2022Updated 3 years ago
- Building MD simulations for polymer electrolyte system☆15Oct 6, 2025Updated last year
- Multimodal aid for mining of chemical reactions from PDFs☆41Jun 25, 2025Updated last year
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Aug 20, 2025Updated last year
- An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges o…☆12May 31, 2022Updated 4 years ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 11 months ago
- Interpretable machine learning for polymer thermal conductivity (IMLforPTC) prediction via physical feature engineering☆14Oct 15, 2023Updated 3 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 4 months ago
- ☆14Mar 12, 2026Updated 7 months ago
- ☆22Feb 1, 2026Updated 8 months ago
- Open source sigma profile generator.☆15Oct 9, 2026Updated 2 weeks ago
- Updated fast, rule-free atom mapping for chemical reactions with a full pipeline to train, select, and evaluate your own RXNMapper/ALBERT…☆21Aug 20, 2026Updated 2 months ago
- ☆17Jun 6, 2026Updated 4 months ago