In recent years, the integration of artificial intelligence (AI) into the field of chemistry has begun to transform molecular design, drug discovery, and material science. Among the trailblazers in this domain is DeepSeek AI, an advanced AI system designed to push the boundaries of what's possible in these
In the realm of materials science, the quest for new materials with specific properties has always been a challenging endeavor. Traditionally, this process involved a lot of trial and error, high costs, and extensive time commitments. However, with the advent of artificial intelligence (AI), particularly models like MatterGen developed by
In the realm of computational chemistry, the integration of advanced machine learning frameworks with chemical informatics tools has opened new avenues for molecular design. Here, we explore how RDKit, alongside deep learning libraries like PyTorch and TensorFlow, and the more recent MatterGen, are being utilized to innovate in this space: