Code for the paper Copolymer Informatics with Multi-Task Deep Neural Networks
☆15Sep 3, 2024Updated 2 years ago
Alternatives and similar repositories for copolymer_informatics
Users that are interested in copolymer_informatics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Dec 2, 2022Updated 3 years ago
- ☆14Feb 4, 2025Updated last year
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- rule-based virtual polymer library generator☆57Dec 23, 2025Updated 10 months ago
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 7 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆52Jul 5, 2024Updated 2 years ago
- A benchmark dataset for polymer informatics.☆108May 31, 2021Updated 5 years ago
- Prediction of pKa from chemical structure using machine learning approaches,molecular similarity and so on☆24Jun 17, 2024Updated 2 years ago
- ☆15Oct 3, 2026Updated last month
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆18Mar 27, 2024Updated 2 years ago
- ☆14Apr 8, 2025Updated last year
- ☆11Apr 22, 2024Updated 2 years ago
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Nov 16, 2022Updated 3 years ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆36Jan 16, 2026Updated 9 months 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.
- Monte Carlo Flow Models for Data Imputation☆20Jun 1, 2020Updated 6 years ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- ☆10Mar 17, 2021Updated 5 years ago
- ☆11Mar 14, 2025Updated last year
- ☆38Jul 18, 2025Updated last year
- Simple SVM implemented with Recursive Feature Elimination☆12Aug 18, 2019Updated 7 years ago
- ☆12Dec 2, 2025Updated 11 months ago
- Framework for multi-page Dash apps☆12May 25, 2019Updated 7 years ago
- 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
- 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.
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- Generator of SMILES string from bigSMILES with extension☆35May 15, 2025Updated last year
- Data enhancement scheme for addressing the dilemma of small data on machine learning for polymer.☆13Apr 26, 2024Updated 2 years ago
- Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and…☆16Jul 11, 2026Updated 3 months ago
- Computer simulation on the crystallization of polymer dendritic crystal based on the phase-field model☆23Nov 10, 2018Updated 7 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆48Mar 27, 2025Updated last year
- A small Python script program for detecting the multi-user status, and a related auto-modifying tool attached☆10Jun 29, 2024Updated 2 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Mar 19, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Quantifying Pairwise Chemical Similarity for Polymers☆16Jan 23, 2024Updated 2 years ago
- ☆11Aug 18, 2026Updated 2 months ago
- Granular access control for Dash☆11Jan 25, 2023Updated 3 years ago
- ☆10Oct 18, 2023Updated 3 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆97Nov 17, 2023Updated 2 years ago
- ☆38Oct 8, 2021Updated 5 years ago