Topic: small-molecule Goto Github
Some thing interesting about small-molecule
Some thing interesting about small-molecule
small-molecule,biosynthetic-gene-clusters toolkit
User: alienzj
small-molecule,LLM for Drug Editing, ICLR 2024
User: chao1224
Home Page: https://chao1224.github.io/ChatDrug
small-molecule,Refinement and analysis of structures against single crystal diffraction data
Organization: chemcryst
small-molecule,Prediction of Protein-Small molecule binding affinities
Organization: haddocking
Home Page: https://wenmr.science.uu.nl/prodigy/lig
small-molecule,Composite Spectra Analysis
Organization: idslme
small-molecule,Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.
Organization: idslme
small-molecule,United Formula Annotation (UFA) for LC-HRMS data
Organization: idslme
small-molecule,A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
Organization: idslme
small-molecule,MolMeDB is an open chemistry database about interactions of molecules with membranes.
Organization: molmedb
Home Page: https://molmedb.upol.cz
small-molecule,ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
User: santuchal
small-molecule,Representation of aqueous solubility of small molecules using PCA.
User: taneishi
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