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CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
Payel Das
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Payel Das (IBM Research)
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2021 : Accurate Multi-Endpoint Molecular Toxicity Predictions in Humans with Contrastive Explanations »
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2021 : Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model »
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2022 : Consistent Training via Energy-Based GFlowNets for Modeling Discrete Joint Distributions »
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2022 : Panel »
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2022 : SynBench: Task-Agnostic Benchmarking of Pretrained Representations using Synthetic Data »
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2022 Expo Demonstration: Real-time Navigation of Chemical Space with Cloud-Based Inference from MoLFormer »
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2021 : Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model »
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2021 Poster: Predicting Deep Neural Network Generalization with Perturbation Response Curves »
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2021 Poster: Mean-based Best Arm Identification in Stochastic Bandits under Reward Contamination »
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2020 : Spotlight: Characterizing the Latent Space of Molecular Generative Models with Persistent Homology Metrics »
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2020 Poster: A Decentralized Parallel Algorithm for Training Generative Adversarial Nets »
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2020 : Spotlight on women at IBM Research »
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2020 Poster: CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models »
Vijil Chenthamarakshan · Payel Das · Samuel Hoffman · Hendrik Strobelt · Inkit Padhi · Kar Wai Lim · Benjamin Hoover · Matteo Manica · Jannis Born · Teodoro Laino · Aleksandra Mojsilovic -
2020 Poster: Optimizing Mode Connectivity via Neuron Alignment »
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2020 Expo Talk Panel: AI against COVID-19 at IBM Research »
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2018 : Contributed Work »
Thaer Moustafa Dieb · Aditya Balu · Amir H. Khasahmadi · Viraj Shah · Boris Knyazev · Payel Das · Garrett Goh · Georgy Derevyanko · Gianni De Fabritiis · Reiko Hagawa · John Ingraham · David Belanger · Jialin Song · Kim Nicoli · Miha Skalic · Michelle Wu · Niklas Gebauer · Peter Bjørn Jørgensen · Ryan-Rhys Griffiths · Shengchao Liu · Sheshera Mysore · Hai Leong Chieu · Philippe Schwaller · Bart Olsthoorn · Bianca-Cristina Cristescu · Wei-Cheng Tseng · Seongok Ryu · Iddo Drori · Kevin Yang · Soumya Sanyal · Zois Boukouvalas · Rishi Bedi · Arindam Paul · Sambuddha Ghosal · Daniil Bash · Clyde Fare · Zekun Ren · Ali Oskooei · Minn Xuan Wong · Paul Sinz · Théophile Gaudin · Wengong Jin · Paul Leu -
2018 Poster: Explanations based on the Missing: Towards Contrastive Explanations with Pertinent Negatives »
Amit Dhurandhar · Pin-Yu Chen · Ronny Luss · Chun-Chen Tu · Paishun Ting · Karthikeyan Shanmugam · Payel Das