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Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular DynamicsPayel DasTom Sercuet al.2021arXiv
The Role of Interactive Visualization in Fostering Trust in AIEmma Beauxis-AussaletMichael Behrischet al.2021IEE CG&A
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative ModelsVijil ChenthamarakshanPayel Daset al.2020NeurIPS 2020
IBM RXN for Chemistry: Unveiling the grammar of the organic chemistry languageResearch Philippe Schwaller, Hendrik Strobelt, Teodoro Laino, and Benjamin Hoover07 Apr 20217 minute readAccelerated DiscoveryAIScience