Machine-Learning

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

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

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

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

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

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

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

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

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

Learn how to visualize SELFIES molecular representations and explore their unique advantages through random sampling, …

SELFIES is a 100% robust string-based representation for chemical molecules, designed for machine learning applications …...

The Müller-Brown potential: a classic two-dimensional analytical benchmark for testing optimization algorithms, reaction …...