I would like to make futuristic building designs but that are modular for better optimization, considering being able to modify each building in a modular way, but that are not conventional buildings like a cube or cylinder.
Sounds like you have created a difficult challenge for yourself… I like it! 
I suggest reaching out to other people who have created modular building systems. It’s great to learn and understand what others have tried and what they managed to create.
First of all consider your design language. Before you start creating your modular pieces, think about the overall design language you want to use. Will your buildings be more organic, with flowing shapes and curves? Or will they be more geometric, with sharp angles and straight lines? This will help guide your design choices as you create your modular pieces.
Once you have your design language in mind, start creating a library of modular pieces that can be combined and arranged in different ways to create a variety of building designs. For example, you could create modular walls, floors, roofs, and support beams that can be combined to create different building shapes and sizes.
Once you have your library of modular pieces, start using them to create building blocks that can be easily duplicated and modified. For example, you could create a standard building block that consists of a floor, two walls, and a roof. Then, you could modify that building block by adding more floors, changing the shape of the walls, or adding windows and doors.
To give your modular buildings a futuristic and unique look, make use of interesting materials and textures. Consider using metallic or reflective materials, or incorporating neon lights or holographic displays. You can also experiment with different textures to give your buildings a more organic or otherworldly feel.
As you create your modular building designs, make sure to test them in context. Place them in a variety of environments and lighting conditions to see how they look and how they interact with the surrounding environment. This will help you refine your designs and make sure they work well in a variety of situations.
I think you should be well on your way if you consider a workflow similar to this one that I have suggested.
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