Rémi's repositories
pymoo
NSGA2, NSGA3, R-NSGA3, MOEAD, Genetic Algorithms (GA), Differential Evolution (DE), CMAES, PSO
Apache-2.0000
Apache-2.0000
RASPA2
Classical molecular simulation code
NOASSERTION000
SMILES-X
Autonomous characterization of molecular compounds from small datasets without descriptors
MIT000
alchemical-analysis
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
MIT000
LigParGen_2.3
LigParGen python package version 2.3 (beta)
Apache-2.0000
FreeSolv
Experimental and calculated small molecule hydration free energies
000