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PyTrial: A Comprehensive Platform for Artificial Intelligence for Drug Development., , , , and . CoRR, (2023)Scientific discovery in the age of artificial intelligence., , , , , , , , , and 20 other author(s). Nat., 620 (7972): 47-60 (2023)MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning., , , , , , , , , and . CoRR, (2020)Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics., , , , , , , , , and . CoRR, (2021)Antibody Complementarity Determining Regions (CDRs) design using Constrained Energy Model., and . KDD, page 389-399. ACM, (2022)MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization., , , , and . AAAI, page 125-133. AAAI Press, (2021)Quasi-Newton Hamiltonian Monte Carlo., , and . UAI, AUAI Press, (2016)DeepPurpose: a deep learning library for drug-target interaction prediction., , , , , and . Bioinform., 36 (22-23): 5545-5547 (2021)Stoichiometry Representation Learning with Polymorphic Crystal Structures., , , , , and . CoRR, (2023)Differentiable Scaffolding Tree for Molecular Optimization., , , , , and . CoRR, (2021)