awesome-smallmol-massspec-ml and awesome-small-molecule-ml
About awesome-smallmol-massspec-ml
josiehong/awesome-smallmol-massspec-ml
Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
This resource helps analytical chemists, metabolomics researchers, and biochemists stay updated on the latest machine learning methods applied to small molecule mass spectrometry. It provides a curated list of research papers and codebases, along with comprehensive databases for molecular properties, mass spectrometry, retention time, and collision cross section data. The goal is to inform practitioners about advanced computational techniques for interpreting mass spectra and predicting molecular characteristics.
About awesome-small-molecule-ml
benb111/awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
This is a curated collection of resources for scientists and researchers in drug discovery, specifically focused on small molecules. It compiles research papers, datasets, software tools, and blogs to help you leverage machine learning techniques. It serves as a starting point for anyone looking to apply advanced computational methods to accelerate the discovery of new drug candidates.
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