figotj / CopolymerLinks
☆12Updated 3 years ago
Alternatives and similar repositories for Copolymer
Users that are interested in Copolymer are comparing it to the libraries listed below
Sorting:
- Polymer property prediction with GNNs and deep set learning.☆25Updated 2 years ago
- ☆25Updated 8 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆49Updated 3 years ago
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆11Updated 3 months ago
- Code for the paper Copolymer Informatics with Multi-Task Deep Neural Networks☆13Updated last year
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆30Updated this week
- rule-based virtual polymer library generator☆47Updated last month
- Machine learning predictions of bond dissociation energy☆66Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆58Updated last week
- The Block Copolymer Phase Behavior Database (BCDB)☆20Updated last year
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Updated last year
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆83Updated 2 years ago
- ☆19Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 8 months ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆34Updated last year
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆44Updated 5 years ago
- G-SchNet extension for SchNetPack☆63Updated 2 months ago
- A benchmark dataset for polymer informatics.☆85Updated 4 years ago
- Molecular graph deep sets learning for mixture property modeling.☆31Updated 11 months ago
- ☆35Updated 6 months ago
- Keras layers for end-to-end learning with rdkit and pymatgen☆62Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆90Updated 4 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆12Updated 2 months ago
- ☆13Updated last year
- Multi-modal conditioning diffusion model for MOFs generation☆42Updated 2 months ago
- A Graph Neural Network for molecular property prediction with four levels of Interpretability.☆25Updated 5 months ago
- ☆16Updated 6 years ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆65Updated 2 years ago
- The official repository of Uni-pKa☆91Updated 9 months ago