Table 2.
SID | Participant Affiliation | Method Name | Method category | Software used |
---|---|---|---|---|
77 |
Molecular Modeling Section Lab (Prof. Stefano Moro) University of Padova, Italy |
HT-SuMD | Other, (MD) |
MOE 2019.01 Acemd3 VMD Python 3.6 scikit-learn 0.21.3 AmberTools 2016 |
75 | Acellera | rDock-rDeep | Docking, ML |
rdkit 2018.03.4 HTMD Playmolecule proteinPrepare rDock rDeep v0 |
64 | Not provided | 2d feature model | Docking | Smina |
79 |
The University of Tokyo, Japan SHaLX Inc. |
Template docking | Docking | Molegro Virtual Docker (7.0.0) |
80 | Institut de Chimie des Substances Naturelles, CNRS, Gif-sur-Yvette, France | ranking_stage2 | Docking |
Schrodinger LigPrep v48012 CACTVS Chemoinformatics Toolkit V3.4.6.26 CORINA v4.2.0 CCDC GOLD v5.7.1 (CSDS-2019-1) |