Design of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud
- Chih-Chieh Yang
- Giacomo Domeniconi
- et al.
- 2020
- Big Data 2020
Conference paper
Publications
698 results for Generative AI
Asymptotic Guarantees for Generative Modeling Based on the Smooth Wasserstein Distance
- Ziv Goldfeld
- Kristjan Greenewald
- et al.
- 2020
- NeurIPS 2020
Conference paperCogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- Vijil Chenthamarakshan
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Conference paperA Decentralized Parallel Algorithm for Training Generative Adversarial Nets
- Mingrui Liu
- Wei Zhang
- et al.
- 2020
- NeurIPS 2020
Conference paperInvestigating two super-resolution methods for downscaling precipitation: ESRGAN and CAR
- Campbell Watson
- Chulin Wang
- et al.
- 2020
- NeurIPS 2020
Workshop paperCharacterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics
- Yair Schiff
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Workshop paperPlatform for Polymer Inverse-Design by Graph Generative Algorithms
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- MRS Fall Meeting 2020
TalkTopology-Driven Completion of Chemical Data
- Dmitry Zubarev
- Peter Ristoski
- 2020
- MRS Fall Meeting 2020
TalkAccessing Creativity and Institutional Knowledge of Polymer Chemists via Expert-in-the-Loop AI—Case of Acrylic Polymer Design
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2020
- MRS Fall Meeting 2020
TalkAutomatic Cyclometalated Iridium(III) Complex Design Using a Data-Driven Fragmentation Representation of Molecules
- Hsianghan Hsu
- Seiji Takeda
- et al.
- 2020
- MRS Fall Meeting 2020
Talk