Hari5115/molecular-odor-predictor

- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.

Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).

COMO (Closed-loop Optical Molecule recOgnition) is a deep learning framework for Optical Chemical Structure Recognition (OCSR). It recognizes chemical structure diagrams from images and predicts SMILES strings with atom-level 2D coordinates and bond matrices.

This is a ReactionT5 pre-trained to predict the products of reactions.

Predict olfactory descriptors from SMILES strings. A GINE-based graph neural network trained on the Leffingwell PMP dataset, reproducing the Principal Odor Map (POM) approach.

Welcome to IBM's series of large foundation models for sustainable materials. Our models span a variety of representations and modalities, including SMILES, SELFIES, 3D atom positions, 3D density grids, molecular graphs, and other formats.