A Python library for prediction of polymeric material properties.
☆24May 6, 2022Updated 4 years ago
Alternatives and similar repositories for polymer_property_prediction
Users that are interested in polymer_property_prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- ☆12Mar 31, 2023Updated 3 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆16Oct 26, 2022Updated 3 years ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 4 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆35May 6, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆37Sep 3, 2024Updated 2 years ago
- ☆13May 13, 2022Updated 4 years ago
- ☆38Jul 18, 2025Updated last year
- A benchmark dataset for polymer informatics.☆107May 31, 2021Updated 5 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- Building MD simulations for polymer electrolyte system☆15Oct 6, 2025Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆52Oct 12, 2022Updated 4 years ago
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆33May 14, 2025Updated last year
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆47Aug 23, 2026Updated last month
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 6 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆284Updated this week
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆21Jun 9, 2024Updated 2 years ago
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆18Mar 27, 2024Updated 2 years ago
- ☆29Feb 13, 2025Updated last year
- ☆22Feb 16, 2024Updated 2 years ago
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆11May 4, 2021Updated 5 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.
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 3 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆97Nov 17, 2023Updated 2 years ago
- rule-based virtual polymer library generator☆56Dec 23, 2025Updated 9 months ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆52Jul 5, 2024Updated 2 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 4 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆41Oct 3, 2022Updated 4 years ago
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 3 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 4 years ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆21Dec 22, 2024Updated last year
- ☆14Dec 6, 2023Updated 2 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆18Aug 24, 2025Updated last year
- A Python library for constructing polymer topologies and coordinates☆24Sep 23, 2025Updated last year
- ☆17Jan 15, 2025Updated last year
- Tools for polymer molecular dynamics simulations☆17Aug 28, 2026Updated last month
- ☆19Aug 4, 2024Updated 2 years ago