MCompChem / fep-benchmark

Benchmark set for relative free energy calculations.

MCompChem/fep-benchmark Issues

bottoming out the assay for CDK8?
Closed a year ago6
The publication could be added to the readme!
Closed a year ago1
Apparent error in SYK sdfile
Closed 3 years ago1
Inconsistency between results here and in paper.
Closed 3 years ago1
Provide a list of the FEP calculations that were carried out to obtain these?
Closed 5 years ago2
Sanitize commit history?
Closed 5 years ago1
Files missing according to README
Closed 5 years ago1
Create DOI for this data
Closed 5 years ago1