Cheminformatics in R โ analyse and screen small molecules with ChemmineR.
Drug Discovery & Pharmaceutical Sciences
The computational toolchain and environment used throughout Analysis of Drug like Small Molecule using ChemmineR: A Cheminformatics Toolkit for R.
# Recommended conda environmentconda create -n dstc_env python=3.11 -yconda activate dstc_envpip install rdkit-pypi openmm mdanalysis prodye-Certificate and e-Marksheet issued on successful completion.