drugdesign

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lifanchen-simm /transformerCPI2.0

Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that do not yet have high-quality 3D structures available.

drugdesign sequence-based

UpdatedJul 20, 2023
Python

SourangshuGhosh /coronavirus_cure_DeepLearning

Star5

Using deep learning to generate novel molecules as candidates for binding with coronavirus protease

recurrent-neural-networks artificial-intelligence drugdesign artificial-neural-networks machinelearning deeplearning coronavirus

UpdatedAug 1, 2020
Jupyter Notebook

francescopatane96 /Bioactivity-prediction-with-ML

Star4

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

UpdatedSep 10, 2022
Jupyter Notebook

manonreau /webpage

Star0

Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark

biology drugdesign chemoinformatics structural cnam cadd manon nr-dbind reau bonvinlab gbcm