Daniel Domingo-Fernández's repositories
PubMed2PDF
A Python package to download full article PDFs from OA publications
np-clinical-trials
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
PTSDDB-Resources
Resources of the PTSD Biomarker Database
rideshare-app
A web application to share rides with your work colleagues
ccs-prediction
Evaluating the generalizability of graph neural networks for predicting collision cross section
chemical-roles
Curation of mechanistic relations from roles in ChEBI and MeSH
ethnobotany
Source code and data for "Modern drug discovery using ethnobotany: A large-scale cross-cultural analysis of traditional medicine reveals common therapeutic uses"
indra
INDRA (Integrated Network and Dynamical Reasoning Assembler) is an automated model assembly system interfacing with NLP systems and databases to collect knowledge, and through a process of assembly, produce causal graphs and dynamical models.
kgem-ensembles-in-drug-discovery
Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"
MultiGML
MultiGML
nodevectors
Fastest network node embeddings in the west
phd-commits
Functions for scraping git commits from repositories associated with a PhD (or anything else) and plotting them.
plant-chemical-space
Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"
probability_cheatsheet
A comprehensive 10-page probability cheatsheet that covers a semester's worth of introduction to probability.
RPath
Source code and data for "Causal reasoning over knowledge graphs leveraging drug-perturbed and disease-specific transcriptomic signatures for drug discovery"
transcriptomic-target-correlation
On the correspondence between the transcriptomic response of a compound and its targets
weighting-spectral-similarity
Scripts and notebooks from Weighting low-intensity MS/MS ions and m/z frequency for spectral library annotation