[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

The official codebase of the paper "Chemical language modeling with structured state space sequence models"

Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.

DL Pipeline for Antibiotic Discovery

A large language model for predicting membrane permeability of chemically modified peptides particularly for cyclic peptides. This method will help to discover novel orally deliverable peptide

Code and data of "Lost in Translation: Chemical LMs and the Misunderstanding of Molecule Structures" paper

ModChemBERT: ModernBERT as a Chemical Language Model