💻 Software & Environment Setup
Drug Discovery & Pharmaceutical Sciences
The computational toolchain and environment used throughout Computer Aided Drug Design in Taste Masking (CADD).
Computer aided drug design courseComputer aided drug design online trainingBest computer aided drug design certificationComputer aided drug design for researchersComputer aided drug design hands-on workshopLearn computer aided drug design
# Recommended conda environmentconda create -n dstc_env python=3.11 -yconda activate dstc_envpip install rdkit-pypi openmm mdanalysis prodyAutoDock Vina
Molecular docking & virtual screening
Molecular docking & virtual screening
GROMACS
Molecular-dynamics simulation
Molecular-dynamics simulation
RDKit
Cheminformatics & descriptor calculation
Cheminformatics & descriptor calculation
PyMOL
Structure visualisation & figures
Structure visualisation & figures
Supported OS: Linux (Ubuntu 22.04+), macOS, or Windows via WSL2.
Hardware: 16 GB RAM minimum; a CUDA GPU helps for deep-learning modules.
Earn government-registered certification in Computer Aided Drug Design in Taste Masking (CADD)
e-Certificate and e-Marksheet issued on successful completion.
