MDAnalysis RDKitConverter-benchmark issues - Githubissues

MDAnalysis / RDKitConverter-benchmark

Benchmark for the RDKitConverter's inferring of bond orders and charges

GNU General Public License v2.0

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Run for MDAnalysis 2.5.0

#6 cbouy opened 2 months ago
0
Benchmark for MDA 2.4.3

#5 cbouy closed 2 months ago
3
rerun with MDAnalysis 2.4

#4 orbeckst closed 2 months ago
5
First run

#3 cbouy closed 2 years ago
0
assign zenodo DOI

#2 orbeckst closed 2 years ago
15
license considerations

#1 orbeckst opened 2 years ago
2