Hamdan003/inventmol-r1

This model is a lightweight model pre-trained on SELFIES (Self-Referencing Embedded Strings) representations of molecules. It is trained on 2.7M unique and valid molecules taken from COCONUTDB and ChemBL34, with 7.3M total generated masked examples.

This model is a BERT-like sequence classifier for 221 human protein drug targets, fine-tuned from gbyuvd/chemselfies-base-bertmlm on a dataset derived ChemBL34 (Zdrazil et al. 2023). It predicts potential drug targets using chemical structures represented as SELFIES (Self-Referencing Embedded…

# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-CLINTOX-101 biomed.sm.mv-te-84m is a multimodal biomedical foundation model for small molecules created using MMELON (Multi-view Molecular Embedding with Late Fusion), a flexible approach to aggregate multiple views (sequence, image, graph) of…

GP-MoLFormer is a class of models pretrained on SMILES string representations of 0.65-1.1B molecules from ZINC and PubChem. This repository is for the model pretrained on all the unique molecules from both datasets.

Gemma 4 E2B fine-tuned on 225K drug–target pairs for novel small-molecule generation.

# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-QM7-101 biomed.sm.mv-te-84m is a multimodal biomedical foundation model for small molecules created using MMELON (Multi-view Molecular Embedding with Late Fusion), a flexible approach to aggregate multiple views (sequence, image, graph) of…