akhljndl/smollm

https://huggingface.co/akhljndl/smollm
Activeby akhljndl01updated 4 months ago

A 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%).

Sourced from

  • HuggingFace — akhljndl/smollm

Related resources

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

Stale1942 years ago
Python

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.

Active04 months ago

This is a ReactionT5 pre-trained to predict the products of reactions. You can use the demo here.

Idle2K1 year ago
Python

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.

Active45 months ago

A 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.

Active04 months ago

This repository contains NMRTrans checkpoints for C-NMR + H-NMR + Formula input.

Active02 months ago