Targeted Neural Dynamical Modeling
- Cole Hurwitz
- Akash Srivastava
- et al.
- 2021
- NeurIPS 2021
Publications
509 results for Generative AI
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Benchmarking deep generative models for diverse antibody sequence design
- Igor Melnyk
- Payel Das
- et al.
- 2021
- NeurIPS 2021
Dynamics-Based Peptide-MHC Binding Optimization by a Convolutional Variational Autoencoder: A Use-Case Model for CASTELO
- David R. Bell
- Giacomo Domeniconi
- et al.
- 2021
- JCTC
Open Knowledge Graphs Canonicalization using Variational Autoencoders
- Sarthak Dash
- Gaetano Rossiello
- et al.
- 2021
- EMNLP 2021
Generative adversarial networks for construction of virtual populations of mechanistic models: simulations to study Omecamtiv Mecarbil action
- Jaimit Parikh
- Timothy Rumbell
- et al.
- 2021
- Journal of Pharmacokinetics and Pharmacodynamics
AI assisted design and synthesis of materials with targeted properties
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2021
- ACS Fall 2021
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2
- Jannis Born
- Matteo Manica
- et al.
- 2021
- ACS Fall 2021
Third Workshop on Adversarial Learning Methods for Machine Learning and Data Mining (AdvML 2021)
- Pin-Yu Chen
- Cho-Jui Hsieh
- et al.
- 2021
- KDD 2021
3rd Workshop on Adversarial Learning Methods for Machine Learning and Data Mining
- Pin-Yu Chen
- Cho-Jui Hsieh
- et al.
- 2021
- KDD 2021