fairydance/molexar-10m-base

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,…

MarkushGrapher-2 is an end-to-end multimodal model for recognizing chemical structures from patent document images. It jointly encodes vision, text, and layout information to convert Markush structure images into machine-readable CXSMILES representations.

# ChemGPT 4.7M ChemGPT is based on the GPT-Neo model and was introduced in the paper Neural Scaling of Deep Chemical Models.

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…

# ChemGPT 19M ChemGPT is based on the GPT-Neo model and was introduced in the paper Neural Scaling of Deep Chemical Models.