Graph convolutional neural network for multirelational link prediction
deep-learning pharmacology embeddings representation-learning graph-convolutional-networks graph-neural-networks
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pharmacology
Here are 121 public repositories matching this topic...
Write reproducible code for getting and processing ChEMBL
python machine-learning bioinformatics toxicology cheminformatics reproducible-research pharmacology chemometrics chembl chemogenomics proteochemometrics
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- Jupyter Notebook
Computational Cell Biology Simulator & In Silico Drug Testing Platform — C++20/Metal, Novak-Tyson CDK ODE, Fick Diffusion, PhysiPKPD Pharmacodynamics
metal cpp pharmacology imgui systems-biology computational-biology pharmacokinetics 3d-visualization cell-cycle ode-solver agent-based-model in-silico physicell cell-simulation drug-testing fick-diffusion
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- Objective-C++
Madrigal: Multimodal AI predicts clinical outcomes of drug combinations from preclinical data
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- Jupyter Notebook
Python implementation of common ADME properties.
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- Python
Targeted and non-targeted anticancer drugs and drug regimens
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- R
A simple machine learning model for small-molecule target prediction in Python.
machine-learning bioinformatics medicine neural-network pharmacology medical hacktoberfest pharmacy random-forest-classifier
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- Python
Free web app to simulate TCI/TIVA (target-controlled infusion/total intravenous anaesthesia)
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- JavaScript
Dose response curves and DIP rates for cell proliferation data in Python
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- Python
Calculate chlorpromazine-equivalent doses in R
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- R
☀️ Shiny App: pkr - Noncompartmental analysis https://asan.shinyapps.io/pkrshiny
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- R
A Bio2BEL package for DrugBank (https://www.drugbank.ca)
cheminformatics pharmacology systems-biology drugbank drugs terminology biological-expression-language networks-biology
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- Python
A Python wrapper for the IUPHAR/BPS Guide to PHARMACOLOGY API
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- Python
Unified Python SDK for OpenFDA, PubMed, and ClinicalTrials.gov with clinical intelligence, interaction detection, and research tools.
python bioinformatics pharmacology pubmed healthcare knowledge-graph api-wrapper clinical-trials python-sdk medical-informatics cli-tool openfda medical-data pydantic healthtech drug-interactions research-tools rich-cli medical-intelligence
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- Python
Non-compartmental pharmacokinetics analysis for Julia.
medicine julia pharmacology clinical-trials pharmacokinetics nca bioequivalence pharmacodynamics clinical-trial drug-development
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- Julia
Awesome Network Pharmacology
machine-learning deep-learning network pharmacology drug-design network-pharmacology drug-discovery-and-development
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Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).
machine-learning bioinformatics deep-learning chemistry biology pharmacology regression discovery datascience drugdesign randomforest drug machinelearning chemoinformatics pharmacy biotechnology machinelearning-python drugdiscovery
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