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The computational chemistry and bioinformatics communities have developed numerous open-source tools that can perform functions similar to those in Discovery Studio: Official Academic Licensing
If your research requires molecular dynamics simulations, GROMACS is an extremely fast and flexible open-source toolkit. It is optimized to run on both standard CPUs and advanced GPUs, allowing for the simulation of biomolecules using state-of-the-art force fields. Conclusion
If your research requires molecular dynamics simulations (which Discovery Studio processes via CHARMM workflows), GROMACS and NAMD are free, open-source, gold-standard engines optimized for high-performance computing clusters. Official Academic Licensing