chemminetools by girke-lab

ChemMine Tools: open source web framework for small molecule analysis

created at March 2, 2011, 7:12 p.m.

JavaScript

10 +0

35 +0

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GitHub
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.

Shell

6 +0

16 +0

3 +0

GitHub
chemmodlab by jrash

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

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

R

2 +0

14 +1

8 +0

GitHub
confgen-webapp by Et9797

Webapp for generating small ligand conformers

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

HTML

2 +0

4 +0

0 +0

GitHub
eiR by girke-lab

Accelerated similarity searching of small molecules (bioconductor package)

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

R

4 +0

3 +0

0 +0

GitHub