gbyuvd/drugtargetpred-chemselfies

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.

ChemFIE-SA is a BERT-like sequence classifier for predicting synthesis accessibility given a SELFIES string of a compound, fine-tuned from gbyuvd/chemselfies-base-bertmlm on DeepSA's expanded dataset from Wang et al. 2023.

Model from this repo. Model used to be in Dropbox/GDrive, leading to issues with download

ChemFIE-BED is a sentence-transformers based on gbyuvd/chemselfies-base-bertmlm fine-tuned on around (for now) 2 million pairs of valid molecules' SELFIES (Krenn et al. 2020) taken from COCONUTDB (Sorokina et al. 2021) and ChemBL34 (Zdrazil et al. 2023).

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…