LLM for Drug Editing, ICLR 2024
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Updated
Jan 17, 2024 - Python
LLM for Drug Editing, ICLR 2024
Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.
Prediction of Protein-Small molecule binding affinities
A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
United Formula Annotation (UFA) for LC-HRMS data
Composite Spectra Analysis
MolMeDB is an open chemistry database about interactions of molecules with membranes.
ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
Refinement and analysis of structures against single crystal diffraction data
Representation of aqueous solubility of small molecules using PCA.
biosynthetic-gene-clusters toolkit
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