NeurIPS 2023 Workshop AI4D3 Submissions

De novo design of antibody heavy chains with SE(3) diffusion
Frederic A Dreyer, Daniel Cutting, David Errington, Constantin Schneider, Charlotte Deane
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
Automating reward function configuration for drug design
Temitope Ajileye, Paul Gainer, Marius Urbonas, Douglas Eduardo Valente Pires
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
Towards a more inductive world for drug repurposing approaches
Jesus de la Fuente Cedeño, Guillermo Serrano, Uxía Veleiro, Mikel Casals, Laura Vera, Marija Pizurica, Antonio Pineda-Lucena, Idoia Ochoa, Silve Vicent, Olivier Gevaert, Mikel Hernaez
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Oral
- Readers: Everyone
TacoGFN: Target Conditioned GFlowNet for Drug Design
Tony Shen, Mohit Pandey, Jason Smith, Artem Cherkasov, Martin Ester
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
The neural scaling laws for phenotypic drug discovery
Drew Linsley, John Griffin, Jason Parker Brown, Adam N Roose, Michael Frank, Steven Finkbeiner, Peter S Linsley, Jeremy William Linsley
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
Offline RL for generative design of protein binders
Denis Tarasov, Ulrich Armel Mbou Sob, Miguel Arbesú, Nima H. Siboni, Sebastien Boyer, Andries Petrus Smit, Oliver Bent, Arnu Pretorius, Marcin J. Skwark
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Oral
- Readers: Everyone
Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions
Lucian Chan, Marcel Verdonk, Carl Poelking
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Oral
- Readers: Everyone
Sample-efficient Antibody Design through Protein Language Model for Risk-aware Batch Bayesian Optimization
Yanzheng Wang, Tianyu Shi
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
RetroBridge: Modeling Retrosynthesis with Markov Bridges
Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone
Model-free selective inference and its applications to drug discovery
Ying Jin, Emmanuel Candes
- Published: 25 Oct 2023, Last Modified: 10 Dec 2023
- AI4D3 2023 Poster
- Readers: Everyone