– Computational Biology Tools: GROMACS, PLUMED, OpenMM, NAMD, Rosetta, AlphaFold, MODELLER, BRODEA, AutoDock, RDKit, OpenBabel, ORCA, GAUSSIAN, GAMESS.
– Programming & Data Analysis: Python (data analysis, ML pipelines), Bash scripting, Fortran (basic)
– Machine Learning Expertise: Protein and drug design using AI frameworks. PyTorch, Scipy.
– Visualization Tools: VMD, PyMOL, Chimera, DS Visualize, Chemcraft, GaussView.
– Data Plotting: Origin, GNU-Plot, Xmgrace, Matplotlib.
– Soft Skills: Project Management, Teamwork and Collaboration, Leadership skills, Presentation, Adaptability.