Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"
☆12Nov 19, 2025Updated 3 months ago
Alternatives and similar repositories for Inverse_copolymer_design
Users that are interested in Inverse_copolymer_design are comparing it to the libraries listed below
Sorting:
- The repository for the generative pretrained model on polymer generation☆18Sep 26, 2025Updated 5 months ago
- ☆26May 14, 2025Updated 9 months ago
- ☆20Feb 16, 2024Updated 2 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Aug 20, 2025Updated 6 months ago
- ☆21Feb 13, 2025Updated last year
- Molecular generation using diffusion models and autoregressive transformer models☆18Jan 7, 2026Updated last month
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆33Jan 16, 2026Updated last month
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆40Nov 17, 2025Updated 3 months ago
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆18Jun 1, 2024Updated last year
- Code for DBellQuant☆34Jan 30, 2026Updated last month
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Nov 7, 2024Updated last year
- Generator of SMILES string from bigSMILES with extension☆34May 15, 2025Updated 9 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆30Jun 24, 2025Updated 8 months ago
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆85Nov 17, 2023Updated 2 years ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆249Feb 2, 2026Updated last month
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 5 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- A machine-learning implementation that learns generalizable, interpretable models connecting polymer chemistry to membrane gas permeabili…☆40Jun 1, 2025Updated 9 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)☆41Oct 13, 2021Updated 4 years ago
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆11Oct 18, 2025Updated 4 months ago
- This is a new deep-learning pipeline for AMP predictions☆16Mar 5, 2025Updated last year
- Cookiecutter template for FastAPI + Panel projects in Python☆10Apr 18, 2022Updated 3 years ago
- A protein language model for learning the SARS-CoV-2 fitness landscape☆12Apr 22, 2025Updated 10 months ago
- 🚀全流程自己训练一个VLA 「大模型」1小时从0训练26M参数的视觉多模态VLM！🌏 Train a 26M-parameter VLM from scratch in just 1 hours!☆27Oct 16, 2025Updated 4 months ago
- Notebooks to demonstrate some uses of Python in Chemical Engineering☆19Sep 2, 2024Updated last year
- A Modular Pytorch ViTGAN implementation☆12Mar 15, 2022Updated 3 years ago
- Official GitHub repository of the lecture "Multimodal Deep Learning for Recommendation", at the 2024 ACM RecSys Summer School☆12Oct 12, 2024Updated last year
- Generating Protein Variants with Different Generative Models (HMM, VAE, ESM-2, ProtGPT2)☆11Mar 14, 2024Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- ☆11Jan 17, 2025Updated last year
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Gamera 4 for Python 3☆14May 16, 2025Updated 9 months ago
- Awesome list about AI4Polymer☆17Sep 23, 2025Updated 5 months ago
- Hands-on repository for fine-tuning Large Language Models (LLMs) in the clinical domain with tutorials☆13Jan 9, 2026Updated last month