4botu | Julien Michel | Julien Michel | 14 | 0.16 | 0.15 | 2.38 | 0.45 | alchemical free energy protocol with average network analysis using same charge compounds and partial charge scaling | FESetup, NetworkX | Free energy |
nszkx | Bogdan Iorga | Bogdan Iorga | 13 | 0.25 | 0.17 | 2.36 | 0.57 | Alchemical Free Energy Calculation | Gromacs | Free energy |
olv52 | Julien Michel | Julien Michel | 14 | 0.11 | 0.18 | 1.81 | 0.46 | alchemical free energy protocol with average network analysis using same charge compounds | FESetup, NetworkX | Free energy |
x8jt0 | | | 0 | nan | nan | nan | nan | eTOX ALLIES | eTOX ALLIES | Structure-based scoring |