Publications

509 results for Generative AI

Trends in deep learning for property-driven drug design
- - Jannis Born
  - Matteo Manica
- 2021
- Current Medicinal Chemistry
Design of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud
- - Chih-Chieh Yang
  - Giacomo Domeniconi
  - et al.
- 2020
- Big Data 2020
Asymptotic Guarantees for Generative Modeling Based on the Smooth Wasserstein Distance
- - Ziv Goldfeld
  - Kristjan Greenewald
  - et al.
- 2020
- NeurIPS 2020
A Decentralized Parallel Algorithm for Training Generative Adversarial Nets
- - Mingrui Liu
  - Wei Zhang
  - et al.
- 2020
- NeurIPS 2020
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- - Vijil Chenthamarakshan
  - Payel Das
  - et al.
- 2020
- NeurIPS 2020
Investigating two super-resolution methods for downscaling precipitation: ESRGAN and CAR
- - Campbell Watson
  - Chulin Wang
  - et al.
- 2020
- NeurIPS 2020
Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics
- - Yair Schiff
  - Payel Das
  - et al.
- 2020
- NeurIPS 2020
Topology-Driven Completion of Chemical Data
- - Dmitry Zubarev
  - Peter Ristoski
- 2020
- MRS Fall Meeting 2020
Platform for Polymer Inverse-Design by Graph Generative Algorithms
- - Seiji Takeda
  - Toshiyuki Hama
  - et al.
- 2020
- MRS Fall Meeting 2020
Accessing 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