Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Publications
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1413 results for Healthcare
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- Seung Gu Kang
- 2022
- ACS Fall 2022
Agent-based model (ABM) reveals the potential of virus-like particles as antiviral therapy
- 2021
- APS March Meeting 2021
Facilitating Federated Genomic Data Analysis by Identifying Record Correlations while Ensuring Privacy
- Leonard Dervishi
- Xinyue Wang
- et al.
- 2023
- NDSS 2023
Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual Tokens
- 2022
- ICLR 2022
Surrogate Ensemble Forecasting for Dynamic Climate Impact Models
- Julian Kuehnert
- Deborah MCGlynn
- et al.
- 2022
- ICLR 2022
Modeling the Three-Dimensional Chromatin Structure from Hi-C Data with Transfer Learning
- Tristan Meynier
- Marianna Rapsomaniki
- 2021
- NeurIPS 2021
COVID-19 India Dataset: Parsing Detailed COVID-19 Data in Daily Health Bulletins from States in India
- Mayank Agarwal
- Tathagata Chakraborti
- et al.
- 2021
- NeurIPS 2021
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- Jannis Born
- Matteo Manica
- et al.
- 2020
- ICML 2020