CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- Vijil Chenthamarakshan
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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20 results for Samuel Hoffman
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Chi-square Information for Invariant Learning
- Prasanna Sattigeri
- Soumya Ghosh
- et al.
- 2020
- ICML 2020
Nano-Material Configuration Design with Deep Surrogate Langevin Dynamics
- Thanh V. Nguyen
- Youssef Mroueh
- et al.
- 2020
- ICLR 2020
An Empirical Study of Modular Bias Mitigators and Ensembles
- Michael Feffer
- Martin Hirzel
- et al.
- 2022
- ICML 2022
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Optimizing molecules using efficient queries from property evaluations
- Samuel C. Hoffman
- Vijil Chenthamarakshan
- et al.
- 2021
- Nature Machine Intelligence
Accelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances