Generator of SMILES string from bigSMILES with extension
☆36May 15, 2025Updated last year
Alternatives and similar repositories for G-BigSMILES
Users that are interested in G-BigSMILES are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated 2 years ago
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- ☆14Dec 2, 2022Updated 3 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆51Oct 12, 2022Updated 3 years ago
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆22Nov 19, 2024Updated last year
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆13Oct 18, 2025Updated 9 months ago
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 4 months ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆36Sep 3, 2024Updated last year
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 3 years ago
- An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges o…☆12May 31, 2022Updated 4 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆93Nov 17, 2023Updated 2 years ago
- CRIPT Python SDK☆11May 29, 2024Updated 2 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆40Jul 2, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 2 months ago
- cp2k test☆10May 26, 2019Updated 7 years ago
- Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.☆27Jul 29, 2024Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆48Jul 15, 2026Updated 3 weeks ago
- A benchmark dataset for polymer informatics.☆103May 31, 2021Updated 5 years ago
- ☆26Feb 13, 2025Updated last year
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 8 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆273Updated this week
- Chemprop benchmarking scripts and data for v1☆34Jun 4, 2024Updated 2 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.
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 10 months ago
- rule-based virtual polymer library generator☆54Dec 23, 2025Updated 7 months ago
- ☆30May 14, 2025Updated last year
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆195Aug 5, 2026Updated last week
- Hückel model + JAX☆14Oct 13, 2022Updated 3 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 11 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆34Jul 5, 2026Updated last month
- Gibbs-Helmholtz Graph Neural Network☆21Aug 31, 2023Updated 2 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.
- Chemometric analysis methods implemented in python☆15Aug 4, 2026Updated last week
- ☆32Mar 14, 2021Updated 5 years ago
- A Graph Neural Network for molecular property prediction with four levels of Interpretability.☆40Apr 11, 2026Updated 4 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆34May 6, 2025Updated last year
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Jul 1, 2024Updated 2 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year