Hari5115/molecular-odor-predictor
https://huggingface.co/Hari5115/molecular-odor-predictorA PyTorch MLP that predicts odor descriptors from a molecule's SMILES string using Morgan (ECFP4) fingerprints. Given any molecule, the model outputs a smell profile across 50 odor categories.
Sourced from
- HuggingFace — Hari5115/molecular-odor-predictor
Related resources
- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.
Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).
sagawa/ReactionT5v1-forward
by sagawaThis is a ReactionT5 pre-trained to predict the products of reactions.
Keylab/COMO
by KeylabCOMO (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.
akhljndl/smollm
by akhljndlA 53K-parameter weight-shared transformer that learns SMILES grammar by applying one small block 8 times. It reaches 95.3% validity on ZINC-250K — outperforming an unshared GPT 10× larger (87.6%).
ibm-research/materials.smi-ted
by ibm-researchWelcome 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.