In this work, we considered the growth of the two surfaces (110) and (002) that predominantly determine the crystal morphology of isoniazid in i different solvents methanol, ethanol, and isopropanol. See Table 3 of the paper for further details of the systems simulated, https://www.sciencedirect.com/science/article/pii/S0009250918307358 The plumed_inh_cumd.dat file was used to carry out CuMD simulations. The CuMD code can be found in the following GitHub, https://github.com/Tarakk/plumed2/tree/CuMD Download the plumed code from the github, compile PLUMED (version 2 or greater) with GROMACS (any version after 5.1.4). Please check the reference for further details of the CuMD method and the parameters used in our simulations. In each directory e.g., ethanol/nvt_ there is a file, 'colvar' that is the output of the CuMD simulation. The solvent density calculation was obtained by postprocessing the simulation trajectories. A representative plumed_inh_solvent_density.dat file is present in the mother directory, and the output of this analysis can be found in the 'postprocess' directory in each of the systems 002/ethanol/nvt_3_cumd_0.2/postprocess_COM/.