Graph Learning over Macromolecule Representations
☆27Dec 31, 2022Updated 3 years ago
Alternatives and similar repositories for GLAMOUR
Users that are interested in GLAMOUR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Mar 31, 2023Updated 3 years ago
- Notebook tutorials for MolecularGraph.jl☆12Jun 22, 2025Updated last year
- ☆13Jun 9, 2021Updated 5 years ago
- ☆38Jul 18, 2025Updated last year
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- An open-source effort towards accessible polymer data☆47Dec 26, 2020Updated 5 years ago
- ChemPile project☆19Jul 31, 2025Updated last year
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 3 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆13Oct 18, 2025Updated 11 months ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆19Dec 27, 2017Updated 8 years ago
- Anticancer Peptide Identification employing Multi-headed Deep-CNN☆13Nov 18, 2021Updated 4 years ago
- ☆11Sep 30, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 2 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆47Aug 23, 2026Updated last month
- ☆12May 12, 2023Updated 3 years ago
- This repo contains course materials for "AI for Chemical Engineers", an AI/ML literacy course that was designed to be accessible and appe…☆44Mar 16, 2026Updated 6 months ago
- ☆12Sep 26, 2026Updated 2 weeks ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆52Jul 5, 2024Updated 2 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆12Oct 8, 2021Updated 5 years ago
- Quantifying Pairwise Chemical Similarity for Polymers☆16Jan 23, 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.
- ☆13May 13, 2022Updated 4 years ago
- ☆16Aug 3, 2023Updated 3 years ago
- An implementation of the Solubility Forecast Index (SFI)☆25Oct 6, 2025Updated last year
- Repository for 9th I-CoMSE virtual workshop for machine learning for molecules☆15May 3, 2025Updated last year
- ☆12Sep 13, 2020Updated 6 years ago
- Code and results for Machine Learning Models to Accelerate the Design of Polymeric Long-Acting Injectables☆16Sep 29, 2022Updated 4 years ago
- Introduction to cyclic peptide simulations and our group's protocols.☆17Sep 21, 2023Updated 3 years ago
- ☆25Sep 3, 2024Updated 2 years ago
- Python code and jupyter notebooks to accompany the manuscript "Deep learning models for lipid-nanoparticle-based drug delivery"☆14Jul 28, 2020Updated 6 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.
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 5 years ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 6 months ago
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 10 months ago
- mordred web interface☆17Dec 9, 2022Updated 3 years ago
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago