Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
☆89Nov 17, 2023Updated 2 years ago
Alternatives and similar repositories for TransPolymer
Users that are interested in TransPolymer 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 repository for the generative pretrained model on polymer generation☆18Mar 20, 2026Updated last month
- A benchmark dataset for polymer informatics.☆95May 31, 2021Updated 4 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 8 months ago
- ☆22Feb 13, 2025Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆32Sep 3, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Message Passing Neural Networks for Molecule Property Prediction☆49Oct 12, 2022Updated 3 years ago
- A machine-learning implementation that learns generalizable, interpretable models connecting polymer chemistry to membrane gas permeabili…☆41Jun 1, 2025Updated 11 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 5 months ago
- Generator of SMILES string from bigSMILES with extension☆35May 15, 2025Updated 11 months ago
- Polymer property prediction with GNNs and deep set learning.☆31May 31, 2023Updated 2 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆31May 6, 2025Updated 11 months ago
- A Python library for prediction of polymeric material properties.☆24May 6, 2022Updated 3 years ago
- ☆12Jun 11, 2025Updated 10 months ago
- ☆26May 14, 2025Updated 11 months 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.
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆23Oct 12, 2022Updated 3 years ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆258Feb 2, 2026Updated 3 months ago
- ☆21Feb 16, 2024Updated 2 years ago
- fuses molecular language and graph representation for property prediction☆23Jun 1, 2024Updated last year
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 2 years ago
- ☆12Dec 2, 2022Updated 3 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- Domain Agnostic Fourier Neural Operators (DAFNO)☆19Sep 3, 2024Updated last year
- A collection of scripts for producing and analyzing simulations, for computational materials science.☆11Jun 10, 2015Updated 10 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.
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Sep 29, 2025Updated 7 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated last year
- ☆25Sep 3, 2024Updated last year
- Molecular Hypergraph Neural Network☆43Jul 4, 2025Updated 10 months ago
- ☆12Apr 12, 2026Updated 3 weeks ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Aug 20, 2025Updated 8 months ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆47Mar 27, 2025Updated last year
- ☆23Jul 3, 2025Updated 10 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 3 months 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.
- ☆26Sep 3, 2024Updated last year
- ☆35Jul 18, 2025Updated 9 months ago
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Repository for MolFormer☆390Sep 17, 2025Updated 7 months ago
- Chemprop benchmarking scripts and data for v1☆33Jun 4, 2024Updated last year
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆12Jan 26, 2024Updated 2 years ago
- rule-based virtual polymer library generator☆51Dec 23, 2025Updated 4 months ago