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Evaluating the generalizability of graph neural networks for predicting collision cross section
enveda/ccs-prediction’s past year of commit activity - np-clinical-trials Public
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
enveda/np-clinical-trials’s past year of commit activity - plant-chemical-space Public
Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"
enveda/plant-chemical-space’s past year of commit activity - weighting-spectral-similarity Public
Scripts and notebooks from Weighting low-intensity MS/MS ions and m/z frequency for spectral library annotation
enveda/weighting-spectral-similarity’s past year of commit activity - kgem-ensembles-in-drug-discovery Public
Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"
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