Deep Learning

Auto-Encoding Variational Bayes (VAE Paper Summary)

Summary of Kingma & Welling's foundational VAE paper introducing the reparameterization trick and variational …...

Deep Learning

Importance Weighted Autoencoders (IWAE Paper Summary)

Summary of Burda, Grosse & Salakhutdinov's ICLR 2016 paper introducing Importance Weighted Autoencoders for tighter …...

Generative Modeling

Importance Weighted Autoencoders: Beyond the Standard VAE

Learn the crucial difference between multi-sample VAEs and Importance Weighted Autoencoders (IWAEs). Explore how …

Computational Chemistry

Recent Advances in the SELFIES Library (2023)

An overview of the major updates to the SELFIES Python library, including improved performance, expanded chemical …...

Computational Chemistry

SELFIES: The Original Paper (Krenn et al. 2020)

A summary of the foundational 2020 paper that introduced SELFIES - the 100% robust molecular string representation …

Computational Chemistry

GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition

Wang et al.'s novel VLM approach using graph traversal CoT and faithful recognition principles to improve optical …...

Computational Chemistry

SubGrapher: Visual Fingerprinting of Chemical Structures

Morin et al.'s method for creating molecular fingerprints directly from images using instance segmentation of functional …...

Computational Chemistry
The transformation from a 2D chemical structure image to a SMILES representation

What is Optical Chemical Structure Recognition (OCSR)?

A micro-review of Optical Chemical Structure Recognition (OCSR), tracing its evolution from rule-based systems to …

Computational Chemistry

αExtractor: Automatic Chemical Information Extraction from Biomedical Literature

Xiong et al.'s deep learning system for extracting chemical structures from literature images using ResNet-Transformer …...

Computational Chemistry

Img2Mol: Accurate SMILES Recognition from Molecular Graphical Depictions

Clevert et al.'s two-stage CNN approach for converting molecular images to SMILES using CDDD embeddings and extensive …...

Computational Chemistry

MolNexTR: A Generalized Deep Learning Model for Molecular Image Recognition

Chen et al.'s dual-stream encoder approach for robust molecular structure recognition from diverse real-world images …...

Computational Chemistry

MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild

Fang et al.'s method for converting molecular structure images from scientific documents into machine-readable formats …...