Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules
☆21Jun 9, 2024Updated 2 years ago
Alternatives and similar repositories for BigSMILES_homopolymer
Users that are interested in BigSMILES_homopolymer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generator of SMILES string from bigSMILES with extension☆35May 15, 2025Updated last year
- ☆12Jul 4, 2025Updated last year
- ☆11Mar 14, 2025Updated last year
- ☆14Dec 28, 2025Updated 10 months ago
- Quantifying Pairwise Chemical Similarity for Polymers☆16Jan 23, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆14May 30, 2025Updated last year
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 3 years ago
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 7 months ago
- A Python library for constructing polymer topologies and coordinates☆25Sep 23, 2025Updated last year
- ☆13May 13, 2022Updated 4 years ago
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- ☆15Dec 2, 2022Updated 3 years ago
- Revealing Factors Influencing Polymer Degradation with Rank-based Machine Learning☆11Aug 22, 2023Updated 3 years ago
- Data enhancement scheme for addressing the dilemma of small data on machine learning for polymer.☆13Apr 26, 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.
- BigSMILES☆11Jun 16, 2024Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆35May 6, 2025Updated last year
- ☆14Feb 4, 2025Updated last year
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆12Oct 18, 2025Updated last year
- ☆33May 14, 2025Updated last year
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- ☆23Feb 16, 2024Updated 2 years ago
- Convert SMILES (chemical structure) to one-hot matrix.☆10Jan 27, 2021Updated 5 years ago
- ☆38Jul 18, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆97Nov 17, 2023Updated 2 years ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- rule-based virtual polymer library generator☆58Dec 23, 2025Updated 10 months ago
- An open-source effort towards accessible polymer data☆49Dec 26, 2020Updated 5 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆50Jul 15, 2026Updated 3 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆48Updated this week
- A deep-learning-based multiple toolkits (DeTool) approach that uses the inputs of enzymes and substrates for biocatalystic tasks.☆14Nov 24, 2023Updated 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.
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆48Mar 27, 2025Updated last year
- Database and code for predicting polymer solubility with machine learning.☆12Dec 11, 2024Updated last year
- Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation te…☆19Oct 27, 2022Updated 4 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- ☆13Apr 15, 2024Updated 2 years ago
- Transfer learning repo☆11Feb 6, 2025Updated last year
- Shared repo for trajectory analysis and infrastructure development☆26Feb 21, 2024Updated 2 years ago