LiangYan3612/NucleusDiff

Molexar-10M Omni is the universal multi-condition model for Molexar, a unified multimodal molecular foundation model for drug design. It starts from fairydance/molexar-10m-base and is supervised fine-tuned to generate Fragment-SELFIES molecules under scalar molecular-property,…

Molexar-10M Base is the unconditional base model for Molexar, a unified multimodal molecular foundation model for drug design. It is trained as an autoregressive molecular language model over Fragment-SELFIES, a BRICS-fragment molecular language with validity-preserving decoding and…

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…

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.

A Data-Driven Router architecture for ADMET prediction.

Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.