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PyTrial: A Comprehensive Platform for Artificial Intelligence for Drug Development., , , , and . CoRR, (2023)MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning., , , , , , , , , and . CoRR, (2020)Quasi-Newton Hamiltonian Monte Carlo., , and . UAI, AUAI Press, (2016)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)Scientific discovery in the age of artificial intelligence., , , , , , , , , and 20 other author(s). Nat., 620 (7972): 47-60 (2023)CPSG-MCMC: Clustering-Based Preprocessing method for Stochastic Gradient MCMC., and . AISTATS, volume 54 of Proceedings of Machine Learning Research, page 841-850. PMLR, (2017)DeepPurpose: a Deep Learning Based Drug Repurposing Toolkit., , , , and . CoRR, (2020)Molecular De Novo Design through Transformer-based Reinforcement Learning., , , , and . CoRR, (2023)