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Repositories
- ccs-prediction Public
Evaluating the generalizability of graph neural networks for predicting collision cross section
- np-clinical-trials Public
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
- 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"
- weighting-spectral-similarity Public
Scripts and notebooks from Weighting low-intensity MS/MS ions and m/z frequency for spectral library annotation
- 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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- ethnobotany Public
Source code and data for "Modern drug discovery using ethnobotany: A large-scale cross-cultural analysis of traditional medicine reveals common therapeutic uses"
- transcriptomic-target-correlation Public
On the correspondence between the transcriptomic response of a compound and its targets
- sapbert Public Forked from cambridgeltl/sapbert
[NAACL & ACL 2021] SapBERT: Self-alignment pretraining for BERT & XL-BEL: Cross-Lingual Biomedical Entity Linking.
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