GitHub topics: admet
aaryavashishth-beep/Novel-Molecules-using-XGBoost
The discovery of new, drug-like molecules is critical yet costly. NovelMol aims to accelerate early-stage drug discovery using deep generative models and predictive machine learning, with applications in: Cancer and neurodegenerative disease therapeutics.
Language: Python - Size: 25.4 KB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 2 - Forks: 0
syntheticgestalt/sg-open-dataset-fragment-binding-admet
This dataset contains fragment binding affinity data and ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) property data obtained through the NEDO GENIAC project by SyntheticGestalt KK.
Size: 36.1 KB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
ricardo-romero-ochoa/kinasepred
Kinase Inhibitor Bioactivity & Toxicity Prediction Platform
Language: Python - Size: 18.8 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 1 - Forks: 0
ArthurBabkin/ADMET_2024_Hackathon
Hackathon ADMET 2024 - evaluating the danger of the molecules for humans using ML.
Language: Jupyter Notebook - Size: 1.08 MB - Last synced at: 4 months ago - Pushed at: 10 months ago - Stars: 5 - Forks: 2
azminewasi/polaris-antiviral-competition
Code and report of ASAP Discovery x OpenADMET challenge (ADMET and Potency).
Size: 21.5 KB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0
Bibhuprasadbehera/Peptaloid-database
Contains relevant project files to publicly available Peptide Alkaloid database "Peptaloid"
Language: JavaScript - Size: 50.4 MB - Last synced at: 10 months ago - Pushed at: 11 months ago - Stars: 2 - Forks: 1
Lambda-UFPB/PharMisa
Automated pipeline for pharmacophore based virtual screening using the interface of pharmit interactive exploration of chemical space and ADMET analysis using ADMETLAB 2.0 API
Language: Python - Size: 654 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
gu-yaowen/MTPredictor
A Drug Metabolite & Toxicity Property Predictor Based on Graph Neural Network
Language: Python - Size: 5.15 MB - Last synced at: about 1 year ago - Pushed at: over 4 years ago - Stars: 2 - Forks: 0
santuchal/ADMET_calculations
ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
Size: 7.81 KB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 2 - Forks: 0
gkxiao/BBB-score
A script using RDKit to reproduce the BBB score reported by Gupta.
Language: HTML - Size: 121 KB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 6 - Forks: 8
kotori-y/admetMesh-Bot
:robot: Use GitHub Actions and admetMesh to predict admet automatically per 30 minutes.
Language: JavaScript - Size: 53 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 4 - Forks: 0
