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Search results for jupyter notebook virtual screening

jupyter-notebook x

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7 search results found

Deeppurpose ⭐ 826

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

active learning for accelerated high-throughput virtual screening

Labodock ⭐ 13

LABODOCK: A Colab-Based Molecular Docking Tools

Ml Ensemble Docking ⭐ 8

Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning

Zinc Million ⭐ 7

Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.

Sars Cov Mpro ⭐ 5

QSAR models and putative agents identified against SARS-CoV-2

Pria Ams Enamine ⭐ 5

Virtual screening on PriA-SSB with the AMS and Enamine REAL libraries

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1-7 of 7 search results

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