Multi modal
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COATI: A pre-trained, multi-modal encoder-decoder model designed for navigating and representing chemical space.
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DRAGONFLY: Prospective de novo drug design with deep interactome learning
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DrugEx: Library for de novo drug design using RNNs, Transformers within a multi-objective reinforcement learning framework
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Sc2Mol: A scaffold-based two-step molecule generator that combines variational autoencoders with transformers to generate molecules, supporting batch random generation for efficiency.