chemmodlab by jrash

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models

created at March 2, 2018, 5:10 a.m.

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awesome-molecular-docking by Thinklab-SJTU

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

created at Dec. 10, 2022, 1:41 p.m.

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3D-e-Chem-VM by 3D-e-Chem

Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows

created at Jan. 11, 2016, 9:10 p.m.

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eiR by girke-lab

Accelerated similarity searching of small molecules (bioconductor package)

created at Feb. 24, 2014, 10:55 p.m.

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confgen-webapp by Et9797

Webapp for generating small ligand conformers

created at Jan. 23, 2021, 12:37 a.m.

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