Category | Software/Languages |
Machine learning and Data Science | Pandas, Numpy, scikit-Learn, Matplot, seaborn |
Programming Languages | Python, C, C++, Java, Perl, C#, JavaScript, TCL scripting, PHP |
Chemo/Bioinformatics | Schrödinger Maestro, Cambridge Chemdraw, Accelrys Discovery studio, Gaussian, LigandScout, Modeller |
Molecular Docking | Autodock, Schrödinger Glide |
Molecular Dynamics | AMBER, GROMACS, NAMD |
ADME/T prediction | ACD/Labs, Topkat, Qikprop |
Visualization Software | Pymol, VMD, Chimera |
Operating Systems | Windows, Linux, Cluster computing |
IDE | Jupyter Notebook, RStudio, NetBeans, VS Code |
Others | WAMP server, StarDrop, AWS, Github |