Molecular Generation by Fast Assembly of SMILES Fragments
OCaml - Released: 08 Jul 2021 - 50
Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
Python - Released: 26 Mar 2019 - 12
module for 3D vectors (implemented as a record of x, y and z floats)
OCaml - Released: 13 May 2013 - 6
Gradient boosting for OCaml using the R xgboost package under the carpet
OCaml - Released: 12 Mar 2018 - 9