Ecosyste.ms: Repos

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GitHub topics: admet

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: 5 days ago - Pushed: 5 days 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: 29 days ago - Pushed: about 3 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: 2 months ago - Pushed: 10 months 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: about 1 year ago - Pushed: almost 3 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: 8 months ago - Pushed: over 2 years ago - Stars: 4 - Forks: 0